A0A061IER7_CRIGR Loading...

HDGF like 1

AlphaFold DB , UniProt , Accession A0A061IER7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100760697, Length 251 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.7Low73.2Confident214 Ų214127.6 Ų127.6100%1.05463%0.632SS**  0100.20-75.4153.5162.300107.1Y3M1-Y3 HydrophobicContact CB-CE2 4.46Å; M1-Y3 PolarHBondContact O-N 3.27Å
2S54.5Low74.8Confident108 Ų108121.1 Ų121.176%0.75562%0.622SS**  trans-74.2106.2175.935.40000108.1F4S2-F4 PolarHBondContact O-N 3.31Å
3Y56.9Low76.3Confident213 Ų213116.4 Ų116.484%0.83560%0.599SS**  trans-73.864166.4-67.9-86.1000108.8M1 S5M1-Y3 HydrophobicContact CB-CE2 4.46Å; M1-Y3 PolarHBondContact O-N 3.27Å; Y3-S5 VanDerWaalsContact C-N 3.29Å; Y3-S5 PolarHBondContact O-N 3.29Å
4F60.5Low77.6Confident170 Ų170111.9 Ų111.975%0.74658%0.576SS**  trans-73.195.1167.3-115.3-91.9000106.5S2 H6S2-F4 PolarHBondContact O-N 3.31Å; F4-H6 PolarHBondContact O-N 3.32Å; F4-H6 PolarHBondContact O-ND1 3.09Å
5S66.5Low78.8Confident77 Ų77104.4 Ų104.454%0.53854%0.537SS..PPolyproline II helixtrans-63.7117.7170.4-1630000106.9Y3Y3-S5 VanDerWaalsContact C-N 3.29Å; Y3-S5 PolarHBondContact O-N 3.29Å
6H74.1Confident79.8Confident167 Ų16797.9 Ų97.977%0.77350%0.504SS*.PPolyproline II helixtrans-63.3135.4-178.9-65.175.5000108.8F4 K8F4-H6 PolarHBondContact O-N 3.32Å; F4-H6 PolarHBondContact O-ND1 3.09Å; H6-K8 PolarHBondContact O-N 3.15Å
7P80.8Confident80.8Confident55 Ų5592.1 Ų92.136%0.35747%0.474SS..PPolyproline II helixtrans-60.5133.6174.925.2-32.2000109.1Y9 V32 Y38P7-Y9 VanDerWaalsContact C-N 3.3Å; P7-V32 HydrophobicContact CB-CG1 4.05Å; P7-V32 HydrophobicContact CB-CG2 4.49Å; P7-Y38 VanDerWaalsContact CA-OH 3.31Å; P7-Y38 WeakPolarHBondContact CA-OH 3.36Å; P7-Y38 HydrophobicContact CB-CE1 4.03Å
8K86.7Confident81.6Confident152 Ų15290.8 Ų90.866%0.66146%0.464SS*.SBendtrans-71.2-29.6-179-179.3167.3178.3159.40112H6 Y38H6-K8 PolarHBondContact O-N 3.15Å; K8-Y38 PolarHBondContact N-OH 2.87Å
9Y90.8Very high82.2Confident14 Ų1489.1 Ų89.16%0.05546%0.456CS..SBendtrans-122.9152.8178.8-58.5-80.8000109.9P7 D13 V15 Y38 P53 L56 P58P7-Y9 VanDerWaalsContact C-N 3.3Å; Y9-D13 WeakPolarHBondContact CA-OD2 3.38Å; Y9-V15 HydrophobicContact CD1-CG1 3.99Å; Y9-V15 HydrophobicContact CE1-CG1 4.03Å; Y9-Y38 HydrophobicContact CD2-CD2 4.48Å; Y9-Y38 HydrophobicContact CD2-CE2 4.15Å; Y9-Y38 WeakPolarHBondContact O-CE1 3.19Å; Y9-P53 HydrophobicContact CD2-CB 4.45Å; Y9-P53 HydrophobicContact CE2-CB 4.07Å; Y9-L56 HydrophobicContact CD2-CB 4.37Å; Y9-L56 HydrophobicContact CD2-CD1 4.06Å; Y9-L56 HydrophobicContact CE2-CB 3.84Å; Y9-L56 HydrophobicContact CE2-CD1 4.29Å; Y9-L56 PolarHBondContact OH-O 2.86Å; Y9-L56 VanDerWaalsContact OH-O 3.09Å; Y9-P58 HydrophobicContact CE1-CG 4.31Å
10K91.6Very high82.8Confident143 Ų14395 Ų9562%0.62248%0.478SS*.  trans-113.5159.1177.5-65.6176.6179.3-76.80110.1G12 D13 I29K10-G12 PolarHBondContact O-N 2.99Å; K10-D13 PolarHBondContact N-OD2 2.8Å; K10-D13 VanDerWaalsContact O-CB 3.3Å; K10-D13 WeakPolarHBondContact O-CB 3.24Å; K10-D13 PolarHBondContact O-N 3.22Å; K10-D13 VanDerWaalsContact O-N 3.11Å; K10-I29 VanDerWaalsContact O-CB 3.27Å; K10-I29 WeakPolarHBondContact O-CB 3.31Å; K10-I29 WeakPolarHBondContact O-CG2 3.48Å
11T92.5Very high83.2Confident91 Ų9193.5 Ų93.556%0.55849%0.487SS*.THydrogen-bonded Turntrans-54.9134.1168.6-70.30000110.1I29 E30T11-I29 CarbonylContact C-O 3.58Å; T11-I29 WeakPolarHBondContact CA-O 3.33Å; T11-E30 WeakPolarHBondContact CB-O 3.17Å; T11-E30 WeakPolarHBondContact CG2-O 3.48Å; T11-E30 PolarHBondContact OG1-O 3.21Å
12G91.9Very high85.2Confident49 Ų4988.5 Ų88.551%0.50546%0.457SS..THydrogen-bonded Turntrans90.4-10.5-175.600000114.5K10 L14 I29K10-G12 PolarHBondContact O-N 2.99Å; G12-L14 PolarHBondContact O-N 3.03Å; G12-I29 PolarHBondContact N-O 2.86Å
13D94Very high87Confident60 Ų6084.8 Ų84.832%0.32143%0.433SS..  trans-65.8127.6178.6-75-5.9000110.7Y9 K10 R28 I29Y9-D13 WeakPolarHBondContact CA-OD2 3.38Å; K10-D13 PolarHBondContact N-OD2 2.8Å; K10-D13 VanDerWaalsContact O-CB 3.3Å; K10-D13 WeakPolarHBondContact O-CB 3.24Å; K10-D13 PolarHBondContact O-N 3.22Å; K10-D13 VanDerWaalsContact O-N 3.11Å; D13-R28 CarbonylContact O-C 2.95Å; D13-R28 WeakPolarHBondContact O-CA 3.29Å; D13-I29 HydrophobicContact CB-CG1 3.99Å; D13-I29 PolarHBondContact O-N 3.48Å
14L94.4Very high88.8Confident53 Ų5376.3 Ų76.328%0.27740%0.401SS..EExtended strand (participates in β ladder)trans-79.7128.3174.8-57.9-175.5000110.1G12 R28 F43 Y59 I82 P86G12-L14 PolarHBondContact O-N 3.03Å; L14-R28 HydrophobicContact CD2-CB 3.95Å; L14-F43 HydrophobicContact CD2-CE2 4.19Å; L14-F43 HydrophobicContact CD2-CZ 4.17Å; L14-Y59 HydrophobicContact CB-CG 4.18Å; L14-Y59 VanDerWaalsContact O-CB 3.25Å; L14-Y59 WeakPolarHBondContact O-CB 3.38Å; L14-Y59 PolarHBondContact O-N 2.82Å; L14-Y59 VanDerWaalsContact O-N 3.07Å; L14-I82 HydrophobicContact CB-CD1 4.22Å; L14-I82 HydrophobicContact CB-CG1 4.4Å; L14-I82 HydrophobicContact CD1-CG1 4.01Å; L14-I82 HydrophobicContact CD2-CD1 4.43Å; L14-I82 HydrophobicContact CD2-CG1 4.05Å; L14-I82 HydrophobicContact CG-CG1 4.37Å; L14-P86 HydrophobicContact CD2-CB 4.12Å
15V95.6Very high90.5Very high0 Ų069 Ų690%037%0.368CS..EExtended strand (participates in β ladder)trans-142.9155.1-174.4-64.80000111.6Y9 A27 I29 V40 L56 F57Y9-V15 HydrophobicContact CD1-CG1 3.99Å; Y9-V15 HydrophobicContact CE1-CG1 4.03Å; V15-A27 CarbonylContact C-O 3.59Å; V15-A27 HydrophobicContact CG2-CB 4.24Å; V15-A27 PolarHBondContact N-O 2.77Å; V15-A27 CarbonylContact O-C 3.42Å; V15-A27 WeakPolarHBondContact O-CA 3.5Å; V15-A27 PolarHBondContact O-N 2.83Å; V15-I29 HydrophobicContact CG1-CD1 4.29Å; V15-I29 HydrophobicContact CG1-CG1 4.35Å; V15-I29 HydrophobicContact CG2-CD1 3.76Å; V15-I29 HydrophobicContact CG2-CG1 4.33Å; V15-V40 HydrophobicContact CG2-CG1 4.36Å; V15-L56 HydrophobicContact CG2-CD2 4.26Å; V15-F57 CarbonylContact C-O 3.55Å; V15-F57 WeakPolarHBondContact CA-O 3.47Å; V15-F57 WeakPolarHBondContact CB-O 3.19Å
16F95.7Very high91.9Very high0 Ų065.3 Ų65.30%034%0.343CS..EExtended strand (participates in β ladder)trans-91.5124.9157.9-75.1-80.1000109.7H24 W25 P26 F57 Y59 K63 F66 L79F16-H24 HydrophobicContact CB-CB 4.2Å; F16-H24 HydrophobicContact CD1-CB 4.34Å; F16-W25 CarbonylContact C-O 3.56Å; F16-W25 VanDerWaalsContact CA-O 3.31Å; F16-W25 WeakPolarHBondContact CA-O 3.37Å; F16-P26 HydrophobicContact CD1-CB 4.48Å; F16-P26 HydrophobicContact CE1-CB 4.07Å; F16-F57 HydrophobicContact CB-CB 4.28Å; F16-F57 PolarHBondContact N-O 3.25Å; F16-F57 PolarHBondContact O-N 2.88Å; F16-Y59 AromaticContact CD2-CD2 3.92Å; F16-Y59 HydrophobicContact CD2-CD2 3.92Å; F16-Y59 AromaticContact CE2-CD2 3.27Å; F16-Y59 HydrophobicContact CE2-CD2 3.27Å; F16-Y59 AromaticContact CE2-CE2 3.59Å; F16-Y59 HydrophobicContact CE2-CE2 3.59Å; F16-Y59 HydrophobicContact CE2-CG 4.26Å; F16-Y59 AromaticContact CZ-CD2 3.7Å; F16-Y59 HydrophobicContact CZ-CD2 3.7Å; F16-Y59 AromaticContact CZ-CE2 3.56Å; F16-Y59 HydrophobicContact CZ-CE2 3.56Å; F16-K63 HydrophobicContact CE2-CB 4.35Å; F16-F66 HydrophobicContact CB-CD2 4.41Å; F16-F66 HydrophobicContact CD1-CB 4.11Å; F16-F66 HydrophobicContact CD2-CD2 4.4Å; F16-F66 HydrophobicContact CE1-CB 4.02Å; F16-F66 HydrophobicContact CE2-CB 4.42Å; F16-F66 HydrophobicContact CG-CB 4.35Å; F16-F66 HydrophobicContact CG-CD2 4.28Å; F16-F66 HydrophobicContact CZ-CB 4.18Å; F16-L79 HydrophobicContact CE1-CD2 4.06Å; F16-L79 HydrophobicContact CZ-CD2 4.19Å
17A96.3Very high92.9Very high0 Ų057.4 Ų57.40%031%0.306CS..EExtended strand (participates in β ladder)trans-97.7137.6176.400000111W25 A27 V40 F42 L51 H55 L56A17-W25 PolarHBondContact N-O 2.9Å; A17-W25 PolarHBondContact O-N 2.98Å; A17-A27 HydrophobicContact CB-CB 3.95Å; A17-V40 HydrophobicContact CB-CG1 4.17Å; A17-F42 HydrophobicContact CB-CD1 4.26Å; A17-F42 HydrophobicContact CB-CE1 3.43Å; A17-F42 VanDerWaalsContact CB-CE1 3.43Å; A17-F42 HydrophobicContact CB-CZ 4.01Å; A17-L51 HydrophobicContact CB-CD1 3.65Å; A17-H55 WeakPolarHBondContact CA-O 3.3Å; A17-L56 HydrophobicContact CB-CD2 4.14Å
18K95.3Very high93.6Very high68 Ų6855.5 Ų55.530%0.29629%0.292SS..EExtended strand (participates in β ladder)trans-113.8102.8-178.1-178.154.9173.5173.10111.9Y22 H55 F57K18-Y22 PolarHBondContact NZ-O 2.91Å; K18-H55 PolarHBondContact N-O 2.85Å; K18-F57 HydrophobicContact CB-CD2 4.29Å; K18-F57 HydrophobicContact CB-CE2 3.69Å; K18-F57 HydrophobicContact CG-CE2 4.41Å
19L92.9Very high94Very high59 Ų5948.3 Ų48.331%0.30926%0.26SS..  trans-91.4155.3171.7-69.2168.7000112.1G21 Y22 F42 L51L19-G21 PolarHBondContact O-N 2.84Å; L19-Y22 HydrophobicContact CB-CD2 3.95Å; L19-Y22 HydrophobicContact CB-CG 4.33Å; L19-Y22 PolarHBondContact O-N 3.02Å; L19-F42 HydrophobicContact CD1-CE1 4Å; L19-F42 HydrophobicContact CD1-CE2 4.13Å; L19-F42 HydrophobicContact CD1-CZ 3.51Å; L19-F42 HydrophobicContact CD2-CZ 4.45Å; L19-F42 HydrophobicContact CG-CE1 4.42Å; L19-F42 HydrophobicContact CG-CZ 3.95Å; L19-L51 HydrophobicContact CD2-CD2 3.9Å
20K93.8Very high94.1Very high206 Ų20649.8 Ų49.890%0.89627%0.268SS*.THydrogen-bonded Turntrans-66.6121.1176.8-172.3-175.8176.786.50109.6Y22K20-Y22 VanDerWaalsContact C-N 3.34Å; K20-Y22 WeakPolarHBondContact O-CD2 3.42Å
21G92.3Very high94.1Very high65 Ų6548.3 Ų48.367%0.6726%0.263SS*.THydrogen-bonded Turntrans84.7-0.5-179.900000115.6L19 R72L19-G21 PolarHBondContact O-N 2.84Å; G21-R72 PolarHBondContact O-NH2 2.84Å
22Y91.4Very high93.9Very high108 Ų10846.3 Ų46.342%0.42425%0.251SS..SBendtrans-112.6159.9176.9-66.9-97.3000111K18 L19 K20K18-Y22 PolarHBondContact NZ-O 2.91Å; L19-Y22 HydrophobicContact CB-CD2 3.95Å; L19-Y22 HydrophobicContact CB-CG 4.33Å; L19-Y22 PolarHBondContact O-N 3.02Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; K20-Y22 WeakPolarHBondContact O-CD2 3.42Å
23A93.3Very high93.5Very high30 Ų3046.5 Ų46.525%0.24825%0.247CC..  trans-68.7175168.200000110.5W25 N70A23-W25 PolarHBondContact O-N 3.18Å; A23-N70 WeakPolarHBondContact CB-ND2 3.39Å
24H95.6Very high93.1Very high36 Ų3647.9 Ų47.917%0.16725%0.252CS..EExtended strand (participates in β ladder)trans-69.1114.4169.4-6593.6000108.1F16 F57 F66 F75F16-H24 HydrophobicContact CB-CB 4.2Å; F16-H24 HydrophobicContact CD1-CB 4.34Å; H24-F57 AromaticContact CD2-CD2 3.89Å; H24-F57 AromaticContact CD2-CE2 3.94Å; H24-F57 AromaticContact NE2-CE2 3.96Å; H24-F66 HydrophobicContact CB-CB 3.95Å; H24-F66 HydrophobicContact CB-CD1 4Å; H24-F66 HydrophobicContact CB-CD2 3.61Å; H24-F66 HydrophobicContact CB-CE1 4.47Å; H24-F66 HydrophobicContact CB-CE2 4.15Å; H24-F66 HydrophobicContact CB-CG 3.58Å; H24-F66 AromaticContact CD2-CE2 3.75Å; H24-F66 AromaticContact CD2-CZ 3.94Å; H24-F66 AromaticContact CE1-CE1 3.48Å; H24-F66 VanDerWaalsContact CE1-CE1 3.48Å; H24-F66 WeakPolarHBondContact CE1-CE1 3.46Å; H24-F66 AromaticContact CE1-CE2 3.97Å; H24-F66 AromaticContact CE1-CZ 3.36Å; H24-F66 WeakPolarHBondContact CE1-CZ 3.45Å; H24-F66 AromaticContact CG-CD1 3.86Å; H24-F66 AromaticContact CG-CD2 3.63Å; H24-F66 AromaticContact CG-CE1 3.83Å; H24-F66 AromaticContact CG-CE2 3.64Å; H24-F66 AromaticContact CG-CG 3.79Å; H24-F66 AromaticContact CG-CZ 3.74Å; H24-F66 AromaticContact ND1-CD1 3.43Å; H24-F66 WeakPolarHBondContact ND1-CD1 3.16Å; H24-F66 AromaticContact ND1-CD2 3.99Å; H24-F66 AromaticContact ND1-CE1 3.15Å; H24-F66 WeakPolarHBondContact ND1-CE1 3.39Å; H24-F66 AromaticContact ND1-CE2 3.78Å; H24-F66 AromaticContact ND1-CG 3.88Å; H24-F66 AromaticContact ND1-CZ 3.37Å; H24-F66 WeakPolarHBondContact ND1-CZ 3.49Å; H24-F66 AromaticContact NE2-CZ 3.77Å; H24-F75 WeakPolarHBondContact O-CE2 3.44Å
25W95.8Very high92.4Very high16 Ų1648.7 Ų48.76%0.06126%0.261CS..EExtended strand (participates in β ladder)trans-100135.6-171.3-156.5-80.1000111.1F16 A17 A23 A27 F42 F43 T45 R72 R73 F75F16-W25 CarbonylContact C-O 3.56Å; F16-W25 VanDerWaalsContact CA-O 3.31Å; F16-W25 WeakPolarHBondContact CA-O 3.37Å; A17-W25 PolarHBondContact N-O 2.9Å; A17-W25 PolarHBondContact O-N 2.98Å; A23-W25 PolarHBondContact O-N 3.18Å; W25-A27 PolarHBondContact O-N 3.48Å; W25-F42 HydrophobicContact CB-CD1 3.88Å; W25-F42 HydrophobicContact CB-CE1 4.13Å; W25-F42 AromaticContact CD1-CD1 3.63Å; W25-F42 AromaticContact CG-CD1 3.89Å; W25-F42 HydrophobicContact CG-CD1 3.89Å; W25-F43 PolarHBondContact NE1-O 3.1Å; W25-T45 HydrophobicContact CH2-CG2 4.35Å; W25-T45 HydrophobicContact CZ2-CG2 3.68Å; W25-R72 HydrophobicContact CH2-CB 3.92Å; W25-R72 HydrophobicContact CZ3-CB 3.78Å; W25-R72 HydrophobicContact CZ3-CG 4.19Å; W25-R73 WeakPolarHBondContact CH2-O 3.41Å; W25-F75 AromaticContact CD2-CD2 3.91Å; W25-F75 HydrophobicContact CD2-CD2 3.91Å; W25-F75 AromaticContact CE3-CD2 3.72Å; W25-F75 HydrophobicContact CE3-CD2 3.72Å; W25-F75 HydrophobicContact CE3-CE2 4.38Å; W25-F75 HydrophobicContact CH2-CB 3.88Å; W25-F75 HydrophobicContact CH2-CD2 4.25Å; W25-F75 HydrophobicContact CZ2-CB 4.13Å; W25-F75 HydrophobicContact CZ2-CD2 4.41Å; W25-F75 HydrophobicContact CZ3-CB 4.24Å; W25-F75 AromaticContact CZ3-CD2 3.9Å; W25-F75 HydrophobicContact CZ3-CD2 3.9Å
26P95.4Very high91.9Very high0 Ų053.5 Ų53.50%029%0.286CS..EExtended strand (participates in β ladder)trans-64.7127.8176.526.7-34.2000110.6F16 F43 G78 L79 I82F16-P26 HydrophobicContact CD1-CB 4.48Å; F16-P26 HydrophobicContact CE1-CB 4.07Å; P26-F43 HydrophobicContact CB-CD2 4.4Å; P26-F43 HydrophobicContact CG-CB 4.5Å; P26-F43 PolarHBondContact O-N 2.93Å; P26-G78 VanDerWaalsContact CG-C 3.48Å; P26-L79 HydrophobicContact CB-CD2 4.17Å; P26-L79 HydrophobicContact CG-CD2 4.1Å; P26-L79 HydrophobicContact CG-CG 4.31Å; P26-I82 HydrophobicContact CB-CB 4.33Å; P26-I82 HydrophobicContact CB-CD1 3.93Å; P26-I82 HydrophobicContact CB-CG2 4.09Å
27A96.1Very high91.7Very high0 Ų059.6 Ų59.60%031%0.309CS..EExtended strand (participates in β ladder)trans-149.6167.7-173.700000112.2V15 A17 W25 V40 F41 F42 F43V15-A27 CarbonylContact C-O 3.59Å; V15-A27 HydrophobicContact CG2-CB 4.24Å; V15-A27 PolarHBondContact N-O 2.77Å; V15-A27 CarbonylContact O-C 3.42Å; V15-A27 WeakPolarHBondContact O-CA 3.5Å; V15-A27 PolarHBondContact O-N 2.83Å; A17-A27 HydrophobicContact CB-CB 3.95Å; W25-A27 PolarHBondContact O-N 3.48Å; A27-V40 HydrophobicContact CB-CG1 3.51Å; A27-F41 CarbonylContact C-O 3.58Å; A27-F41 WeakPolarHBondContact CA-O 3.31Å; A27-F41 WeakPolarHBondContact CB-O 3.49Å; A27-F42 HydrophobicContact CB-CD1 4.11Å; A27-F43 VanDerWaalsContact C-CE2 3.47Å
28R95.3Very high91.6Very high15 Ų1559.7 Ų59.76%0.05731%0.31CS..EExtended strand (participates in β ladder)trans-130.3151.7171.166.7-174179.7149.822.2110.5D13 L14 E30 V40 F41 F43 P86 M87 V88 E89D13-R28 CarbonylContact O-C 2.95Å; D13-R28 WeakPolarHBondContact O-CA 3.29Å; L14-R28 HydrophobicContact CD2-CB 3.95Å; R28-E30 PolarHBondContact O-N 2.87Å; R28-V40 CarbonylContact O-C 3.59Å; R28-V40 WeakPolarHBondContact O-CA 3.15Å; R28-V40 WeakPolarHBondContact O-CG1 3.34Å; R28-F41 HydrophobicContact CG-CB 3.87Å; R28-F41 HydrophobicContact CG-CD1 3.83Å; R28-F41 HydrophobicContact CG-CG 4.27Å; R28-F41 PolarHBondContact N-O 2.85Å; R28-F41 PolarHBondContact O-N 3.28Å; R28-F43 HydrophobicContact CB-CE2 3.83Å; R28-F43 HydrophobicContact CB-CZ 3.85Å; R28-F43 HydrophobicContact CG-CE2 4.14Å; R28-F43 HydrophobicContact CG-CZ 3.87Å; R28-P86 WeakPolarHBondContact CD-O 3.38Å; R28-P86 PolarHBondContact NH1-O 3.4Å; R28-M87 VanDerWaalsContact NH1-C 3.34Å; R28-M87 PolarHBondContact NH1-O 3.34Å; R28-V88 PolarHBondContact NH1-O 2.84Å; R28-V88 PolarHBondContact NH2-O 3.03Å; R28-E89 IonicContact CZ-OE1 2.78Å; R28-E89 VanDerWaalsContact CZ-OE1 3.25Å; R28-E89 IonicContact CZ-OE2 3.25Å; R28-E89 IonicContact NH1-OE1 3.67Å; R28-E89 PolarHBondContact NH1-OE1 3.32Å; R28-E89 IonicContact NH2-OE1 2.71Å; R28-E89 PolarHBondContact NH2-OE1 2.85Å; R28-E89 IonicContact NH2-OE2 2.87Å; R28-E89 PolarHBondContact NH2-OE2 3.07Å
29I94.9Very high91.5Very high1 Ų158.4 Ų58.41%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-77.2115171.8-52.5-55.7000108.5K10 T11 G12 D13 V15 Y38 V40 L56K10-I29 VanDerWaalsContact O-CB 3.27Å; K10-I29 WeakPolarHBondContact O-CB 3.31Å; K10-I29 WeakPolarHBondContact O-CG2 3.48Å; T11-I29 CarbonylContact C-O 3.58Å; T11-I29 WeakPolarHBondContact CA-O 3.33Å; G12-I29 PolarHBondContact N-O 2.86Å; D13-I29 HydrophobicContact CB-CG1 3.99Å; D13-I29 PolarHBondContact O-N 3.48Å; V15-I29 HydrophobicContact CG1-CD1 4.29Å; V15-I29 HydrophobicContact CG1-CG1 4.35Å; V15-I29 HydrophobicContact CG2-CD1 3.76Å; V15-I29 HydrophobicContact CG2-CG1 4.33Å; I29-Y38 HydrophobicContact CG2-CD1 4.12Å; I29-V40 HydrophobicContact CD1-CG2 3.67Å; I29-L56 HydrophobicContact CD1-CD1 3.84Å; I29-L56 HydrophobicContact CD1-CD2 4.47Å
30E92.9Very high91.7Very high45 Ų4555.6 Ų55.621%0.2129%0.29CS..EExtended strand (participates in β ladder)trans-82.2-52.7176.9-175.4177.6-15900110T11 R28 Q39 F41 T48T11-E30 WeakPolarHBondContact CB-O 3.17Å; T11-E30 WeakPolarHBondContact CG2-O 3.48Å; T11-E30 PolarHBondContact OG1-O 3.21Å; R28-E30 PolarHBondContact O-N 2.87Å; E30-Q39 HydrophobicContact CB-CG 4.31Å; E30-Q39 PolarHBondContact N-O 3.21Å; E30-Q39 WeakPolarHBondContact OE2-CG 3.37Å; E30-Q39 PolarHBondContact OE2-NE2 2.83Å; E30-F41 HydrophobicContact CB-CB 4.38Å; E30-T48 WeakPolarHBondContact OE2-CG2 3.35Å
31Q90.7Very high91.7Very high113 Ų11345.8 Ų45.853%0.52825%0.247SC..EExtended strand (participates in β ladder)trans-145.6146.2-178.9-171.1174.7-21.400111.9A33 Q39Q31-A33 PolarHBondContact O-N 3.3Å; Q31-Q39 HydrophobicContact CB-CB 4.21Å; Q31-Q39 PolarHBondContact N-O 3.03Å; Q31-Q39 WeakPolarHBondContact O-CB 3.48Å; Q31-Q39 PolarHBondContact O-N 3.37Å
32V89.1Confident91.9Very high48 Ų4843 Ų4329%0.29122%0.217SC..EExtended strand (participates in β ladder)trans-85.4100.4166.7-172.60000107.9P7 Y38P7-V32 HydrophobicContact CB-CG1 4.05Å; P7-V32 HydrophobicContact CB-CG2 4.49Å; V32-Y38 HydrophobicContact CB-CD1 4.38Å; V32-Y38 HydrophobicContact CB-CE1 4.47Å; V32-Y38 HydrophobicContact CG1-CD1 4.16Å; V32-Y38 HydrophobicContact CG1-CE1 3.91Å; V32-Y38 HydrophobicContact CG2-CD1 3.93Å; V32-Y38 HydrophobicContact CG2-CE1 3.94Å
33A83.9Confident92Very high53 Ų5337.9 Ų37.944%0.43820%0.197SC..EExtended strand (participates in β ladder)trans-78.1-46.5-178.600000111.8Q31 R37 L50Q31-A33 PolarHBondContact O-N 3.3Å; A33-R37 PolarHBondContact N-O 2.86Å; A33-L50 HydrophobicContact CB-CD2 3.92Å
34E83.7Confident92.1Very high89 Ų8937.1 Ų37.142%0.41619%0.191SC..EExtended strand (participates in β ladder)trans-133159176.6-61.1174-172.500108.8N36 R37E34-N36 PolarHBondContact O-N 3Å; E34-R37 HydrophobicContact CB-CB 3.96Å; E34-R37 HydrophobicContact CB-CG 4.41Å; E34-R37 HydrophobicContact CG-CB 4.37Å; E34-R37 PolarHBondContact N-O 2.97Å; E34-R37 CarbonylContact O-C 3.6Å; E34-R37 PolarHBondContact O-N 3.5Å; E34-R37 IonicContact OE1-NH1 3.15Å; E34-R37 PolarHBondContact OE1-NH1 2.82Å; E34-R37 VanDerWaalsContact OE1-NH1 3.15Å; E34-R37 VanDerWaalsContact OE2-CD 3.24Å; E34-R37 WeakPolarHBondContact OE2-CD 2.98Å; E34-R37 WeakPolarHBondContact OE2-CG 3.48Å; E34-R37 IonicContact OE2-NE 3.88Å; E34-R37 IonicContact OE2-NH1 3.57Å
35P80.1Confident91.9Very high71 Ų7137.8 Ų37.846%0.46120%0.198SC..THydrogen-bonded Turntrans-54.8-22.2179.219.4-33000114.4Y38P35-Y38 PolarHBondContact O-OH 3.3Å
36N85.5Confident91.8Very high101 Ų10140.4 Ų40.454%0.5421%0.211SC..THydrogen-bonded Turntrans-120.68177.3-70.8-42.1000114.2E34 G52 P53E34-N36 PolarHBondContact O-N 3Å; N36-G52 WeakPolarHBondContact O-CA 3.45Å; N36-P53 WeakPolarHBondContact O-CD 3.27Å
37R91Very high91.6Very high127 Ų12746.5 Ų46.548%0.47924%0.239SC..EExtended strand (participates in β ladder)trans-131.8128.5174.9-65.5-171.6163.8149.1-16.2111A33 E34A33-R37 PolarHBondContact N-O 2.86Å; E34-R37 HydrophobicContact CB-CB 3.96Å; E34-R37 HydrophobicContact CB-CG 4.41Å; E34-R37 HydrophobicContact CG-CB 4.37Å; E34-R37 PolarHBondContact N-O 2.97Å; E34-R37 CarbonylContact O-C 3.6Å; E34-R37 PolarHBondContact O-N 3.5Å; E34-R37 IonicContact OE1-NH1 3.15Å; E34-R37 PolarHBondContact OE1-NH1 2.82Å; E34-R37 VanDerWaalsContact OE1-NH1 3.15Å; E34-R37 VanDerWaalsContact OE2-CD 3.24Å; E34-R37 WeakPolarHBondContact OE2-CD 2.98Å; E34-R37 WeakPolarHBondContact OE2-CG 3.48Å; E34-R37 IonicContact OE2-NE 3.88Å; E34-R37 IonicContact OE2-NH1 3.57Å
38Y93.8Very high91.5Very high2 Ų248.6 Ų48.61%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-112133.5179.2-56.7-85.8000108.3P7 K8 Y9 I29 V32 P35 L50 L51 P53 L56P7-Y38 VanDerWaalsContact CA-OH 3.31Å; P7-Y38 WeakPolarHBondContact CA-OH 3.36Å; P7-Y38 HydrophobicContact CB-CE1 4.03Å; K8-Y38 PolarHBondContact N-OH 2.87Å; Y9-Y38 HydrophobicContact CD2-CD2 4.48Å; Y9-Y38 HydrophobicContact CD2-CE2 4.15Å; Y9-Y38 WeakPolarHBondContact O-CE1 3.19Å; I29-Y38 HydrophobicContact CG2-CD1 4.12Å; V32-Y38 HydrophobicContact CB-CD1 4.38Å; V32-Y38 HydrophobicContact CB-CE1 4.47Å; V32-Y38 HydrophobicContact CG1-CD1 4.16Å; V32-Y38 HydrophobicContact CG1-CE1 3.91Å; V32-Y38 HydrophobicContact CG2-CD1 3.93Å; V32-Y38 HydrophobicContact CG2-CE1 3.94Å; P35-Y38 PolarHBondContact O-OH 3.3Å; Y38-L50 CarbonylContact O-C 3.39Å; Y38-L50 WeakPolarHBondContact O-CA 3.35Å; Y38-L51 PolarHBondContact N-O 3.05Å; Y38-L51 PolarHBondContact O-N 3.09Å; Y38-P53 HydrophobicContact CE2-CB 3.97Å; Y38-P53 HydrophobicContact CE2-CG 4.22Å; Y38-L56 HydrophobicContact CD2-CD1 3.6Å; Y38-L56 HydrophobicContact CE2-CD1 4.48Å; Y38-L56 HydrophobicContact CG-CD1 3.93Å
39Q95.1Very high91.4Very high41 Ų4149.3 Ų49.319%0.19226%0.262CS..EExtended strand (participates in β ladder)trans-77.9120163.6-176.6173.2-10.300107.8E30 Q31 L50E30-Q39 HydrophobicContact CB-CG 4.31Å; E30-Q39 PolarHBondContact N-O 3.21Å; E30-Q39 WeakPolarHBondContact OE2-CG 3.37Å; E30-Q39 PolarHBondContact OE2-NE2 2.83Å; Q31-Q39 HydrophobicContact CB-CB 4.21Å; Q31-Q39 PolarHBondContact N-O 3.03Å; Q31-Q39 WeakPolarHBondContact O-CB 3.48Å; Q31-Q39 PolarHBondContact O-N 3.37Å; Q39-L50 HydrophobicContact CB-CD2 3.93Å
40V95.3Very high91.4Very high0 Ų054.1 Ų54.10%029%0.287CS..EExtended strand (participates in β ladder)trans-120.3129.4-171.9-177.60000108.4V15 A17 A27 R28 I29 T48 A49 L51 L56V15-V40 HydrophobicContact CG2-CG1 4.36Å; A17-V40 HydrophobicContact CB-CG1 4.17Å; A27-V40 HydrophobicContact CB-CG1 3.51Å; R28-V40 CarbonylContact O-C 3.59Å; R28-V40 WeakPolarHBondContact O-CA 3.15Å; R28-V40 WeakPolarHBondContact O-CG1 3.34Å; I29-V40 HydrophobicContact CD1-CG2 3.67Å; V40-T48 CarbonylContact O-C 3.59Å; V40-T48 VanDerWaalsContact O-CA 3.29Å; V40-T48 WeakPolarHBondContact O-CA 3.43Å; V40-A49 PolarHBondContact N-O 2.88Å; V40-A49 PolarHBondContact O-N 2.73Å; V40-L51 HydrophobicContact CB-CD1 4.3Å; V40-L51 HydrophobicContact CG2-CB 4.17Å; V40-L51 HydrophobicContact CG2-CD1 4.37Å; V40-L56 HydrophobicContact CG1-CD2 4.37Å; V40-L56 HydrophobicContact CG2-CD1 4.25Å; V40-L56 HydrophobicContact CG2-CD2 3.77Å
41F95.3Very high91.5Very high0 Ų052.7 Ų52.70%028%0.28CS..EExtended strand (participates in β ladder)trans-96.9126.2176.7171.5-91.7000109.7A27 R28 E30 F43 H46 T48 V88 A90A27-F41 CarbonylContact C-O 3.58Å; A27-F41 WeakPolarHBondContact CA-O 3.31Å; A27-F41 WeakPolarHBondContact CB-O 3.49Å; R28-F41 HydrophobicContact CG-CB 3.87Å; R28-F41 HydrophobicContact CG-CD1 3.83Å; R28-F41 HydrophobicContact CG-CG 4.27Å; R28-F41 PolarHBondContact N-O 2.85Å; R28-F41 PolarHBondContact O-N 3.28Å; E30-F41 HydrophobicContact CB-CB 4.38Å; F41-F43 HydrophobicContact CD1-CD1 4.21Å; F41-F43 HydrophobicContact CD1-CE1 4.29Å; F41-F43 AromaticContact CE1-CD1 3.72Å; F41-F43 HydrophobicContact CE1-CD1 3.72Å; F41-F43 HydrophobicContact CE1-CE1 4Å; F41-F43 HydrophobicContact CE1-CG 4.33Å; F41-H46 VanDerWaalsContact CE2-CA 3.42Å; F41-H46 HydrophobicContact CE2-CB 3.66Å; F41-H46 HydrophobicContact CZ-CB 3.77Å; F41-H46 AromaticContact CZ-CD2 3.34Å; F41-H46 WeakPolarHBondContact CZ-CD2 3.39Å; F41-H46 AromaticContact CZ-CG 3.74Å; F41-T48 HydrophobicContact CB-CG2 4.29Å; F41-T48 HydrophobicContact CD2-CG2 3.94Å; F41-V88 HydrophobicContact CE1-CG1 4.03Å; F41-V88 WeakPolarHBondContact CE1-O 3.42Å; F41-V88 HydrophobicContact CZ-CG1 4.28Å; F41-V88 WeakPolarHBondContact CZ-O 3.22Å; F41-A90 HydrophobicContact CD2-CB 3.72Å; F41-A90 HydrophobicContact CE2-CB 3.27Å; F41-A90 VanDerWaalsContact CE2-N 3.3Å; F41-A90 HydrophobicContact CZ-CB 4.38Å
42F95.3Very high91.6Very high8 Ų848.3 Ų48.34%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-91.1122.5178.6-66.1-82.1000110.7A17 L19 W25 A27 H46 E47 A49 L51A17-F42 HydrophobicContact CB-CD1 4.26Å; A17-F42 HydrophobicContact CB-CE1 3.43Å; A17-F42 VanDerWaalsContact CB-CE1 3.43Å; A17-F42 HydrophobicContact CB-CZ 4.01Å; L19-F42 HydrophobicContact CD1-CE1 4Å; L19-F42 HydrophobicContact CD1-CE2 4.13Å; L19-F42 HydrophobicContact CD1-CZ 3.51Å; L19-F42 HydrophobicContact CD2-CZ 4.45Å; L19-F42 HydrophobicContact CG-CE1 4.42Å; L19-F42 HydrophobicContact CG-CZ 3.95Å; W25-F42 HydrophobicContact CB-CD1 3.88Å; W25-F42 HydrophobicContact CB-CE1 4.13Å; W25-F42 AromaticContact CD1-CD1 3.63Å; W25-F42 AromaticContact CG-CD1 3.89Å; W25-F42 HydrophobicContact CG-CD1 3.89Å; A27-F42 HydrophobicContact CB-CD1 4.11Å; F42-H46 VanDerWaalsContact O-CA 3.22Å; F42-H46 WeakPolarHBondContact O-CA 3.19Å; F42-H46 PolarHBondContact O-N 3.36Å; F42-E47 HydrophobicContact CD2-CB 4.4Å; F42-E47 WeakPolarHBondContact CD2-O 3.4Å; F42-E47 PolarHBondContact N-O 3.41Å; F42-A49 HydrophobicContact CE2-CB 3.71Å; F42-A49 HydrophobicContact CZ-CB 4.43Å; F42-L51 HydrophobicContact CZ-CD1 3.92Å
43F94.7Very high91.8Very high0 Ų047.8 Ų47.80%026%0.263CS..THydrogen-bonded Turntrans-68.4148.1175-66.9-74.6000111.1L14 W25 P26 A27 R28 F41 T45 G78 E81 I82 V88L14-F43 HydrophobicContact CD2-CE2 4.19Å; L14-F43 HydrophobicContact CD2-CZ 4.17Å; W25-F43 PolarHBondContact NE1-O 3.1Å; P26-F43 HydrophobicContact CB-CD2 4.4Å; P26-F43 HydrophobicContact CG-CB 4.5Å; P26-F43 PolarHBondContact O-N 2.93Å; A27-F43 VanDerWaalsContact C-CE2 3.47Å; R28-F43 HydrophobicContact CB-CE2 3.83Å; R28-F43 HydrophobicContact CB-CZ 3.85Å; R28-F43 HydrophobicContact CG-CE2 4.14Å; R28-F43 HydrophobicContact CG-CZ 3.87Å; F41-F43 HydrophobicContact CD1-CD1 4.21Å; F41-F43 HydrophobicContact CD1-CE1 4.29Å; F41-F43 AromaticContact CE1-CD1 3.72Å; F41-F43 HydrophobicContact CE1-CD1 3.72Å; F41-F43 HydrophobicContact CE1-CE1 4Å; F41-F43 HydrophobicContact CE1-CG 4.33Å; F43-T45 PolarHBondContact O-N 2.66Å; F43-G78 VanDerWaalsContact C-CA 3.45Å; F43-G78 VanDerWaalsContact CB-CA 3.45Å; F43-G78 WeakPolarHBondContact CB-O 3.25Å; F43-E81 WeakPolarHBondContact CA-OE2 3.11Å; F43-E81 HydrophobicContact CB-CB 4.16Å; F43-E81 WeakPolarHBondContact CB-OE2 3.39Å; F43-E81 HydrophobicContact CD1-CB 3.77Å; F43-E81 HydrophobicContact CG-CB 4.25Å; F43-I82 HydrophobicContact CD2-CB 3.72Å; F43-I82 HydrophobicContact CD2-CD1 3.87Å; F43-I82 HydrophobicContact CD2-CG1 3.94Å; F43-I82 HydrophobicContact CE2-CB 3.76Å; F43-I82 HydrophobicContact CE2-CD1 3.67Å; F43-I82 HydrophobicContact CE2-CG1 3.55Å; F43-I82 HydrophobicContact CG-CB 4.28Å; F43-I82 HydrophobicContact CZ-CB 4.32Å; F43-I82 HydrophobicContact CZ-CG1 4.23Å; F43-V88 HydrophobicContact CD1-CG1 3.68Å; F43-V88 HydrophobicContact CE1-CG1 3.75Å
44G93.8Very high92.2Very high13 Ų1353.8 Ų53.813%0.13428%0.28CS..THydrogen-bonded Turntrans73.3-23.9-178.800000116.2G74 E81G44-G74 WeakPolarHBondContact CA-O 3.39Å; G44-E81 PolarHBondContact N-OE2 3.09Å
45T92.6Very high92.7Very high51 Ų5153.8 Ų53.831%0.31328%0.279SS..THydrogen-bonded Turntrans-103.1-17.9166.466.20000112.7W25 F43 E47W25-T45 HydrophobicContact CH2-CG2 4.35Å; W25-T45 HydrophobicContact CZ2-CG2 3.68Å; F43-T45 PolarHBondContact O-N 2.66Å; T45-E47 PolarHBondContact O-N 2.86Å
46H92.5Very high93.4Very high70 Ų7050.6 Ų50.632%0.32426%0.258SS..  trans51.524.9-175.1-53.2154.1000113.1F41 F42 E81 A90F41-H46 VanDerWaalsContact CE2-CA 3.42Å; F41-H46 HydrophobicContact CE2-CB 3.66Å; F41-H46 HydrophobicContact CZ-CB 3.77Å; F41-H46 AromaticContact CZ-CD2 3.34Å; F41-H46 WeakPolarHBondContact CZ-CD2 3.39Å; F41-H46 AromaticContact CZ-CG 3.74Å; F42-H46 VanDerWaalsContact O-CA 3.22Å; F42-H46 WeakPolarHBondContact O-CA 3.19Å; F42-H46 PolarHBondContact O-N 3.36Å; H46-E81 IonicContact CD2-OE1 3.99Å; H46-E81 IonicContact CD2-OE2 3.64Å; H46-E81 IonicContact CE1-OE1 3.48Å; H46-E81 PolarHBondContact CE1-OE1 3.26Å; H46-E81 VanDerWaalsContact NE2-CD 3.35Å; H46-E81 IonicContact NE2-OE1 2.82Å; H46-E81 PolarHBondContact NE2-OE1 3.28Å; H46-E81 IonicContact NE2-OE2 3.13Å; H46-E81 PolarHBondContact NE2-OE2 2.87Å; H46-E81 VanDerWaalsContact NE2-OE2 3.13Å; H46-A90 HydrophobicContact CB-CB 4.4Å; H46-A90 WeakPolarHBondContact O-CB 3.34Å
47E93Very high93.8Very high128 Ų12849 Ų4960%0.59825%0.247SC*.  trans-83153.3174.5-69.7-176.9110.300109.9F42 T45F42-E47 HydrophobicContact CD2-CB 4.4Å; F42-E47 WeakPolarHBondContact CD2-O 3.4Å; F42-E47 PolarHBondContact N-O 3.41Å; T45-E47 PolarHBondContact O-N 2.86Å
48T92.9Very high94Very high44 Ų4445.6 Ų45.627%0.2724%0.241SC..EExtended strand (participates in β ladder)trans-118.7140.7176.5540000110.4E30 V40 F41E30-T48 WeakPolarHBondContact OE2-CG2 3.35Å; V40-T48 CarbonylContact O-C 3.59Å; V40-T48 VanDerWaalsContact O-CA 3.29Å; V40-T48 WeakPolarHBondContact O-CA 3.43Å; F41-T48 HydrophobicContact CB-CG2 4.29Å; F41-T48 HydrophobicContact CD2-CG2 3.94Å
49A93.6Very high94Very high31 Ų3146.1 Ų46.126%0.25624%0.243SC..EExtended strand (participates in β ladder)trans-145.8154.1175.300000112.5V40 F42V40-A49 PolarHBondContact N-O 2.88Å; V40-A49 PolarHBondContact O-N 2.73Å; F42-A49 HydrophobicContact CE2-CB 3.71Å; F42-A49 HydrophobicContact CZ-CB 4.43Å
50L94.3Very high93.9Very high101 Ų10150.1 Ų50.153%0.52926%0.262SS..EExtended strand (participates in β ladder)trans-87.6114.5173.6-65.6173.4000110.4A33 Y38 Q39A33-L50 HydrophobicContact CB-CD2 3.92Å; Y38-L50 CarbonylContact O-C 3.39Å; Y38-L50 WeakPolarHBondContact O-CA 3.35Å; Q39-L50 HydrophobicContact CB-CD2 3.93Å
51L94.6Very high93.7Very high15 Ų1557.6 Ų57.68%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-124145.5-179.5-73.4169.5000111.7A17 L19 Y38 V40 F42 H55 L56A17-L51 HydrophobicContact CB-CD1 3.65Å; L19-L51 HydrophobicContact CD2-CD2 3.9Å; Y38-L51 PolarHBondContact N-O 3.05Å; Y38-L51 PolarHBondContact O-N 3.09Å; V40-L51 HydrophobicContact CB-CD1 4.3Å; V40-L51 HydrophobicContact CG2-CB 4.17Å; V40-L51 HydrophobicContact CG2-CD1 4.37Å; F42-L51 HydrophobicContact CZ-CD1 3.92Å; L51-H55 HydrophobicContact CD2-CB 4.15Å; L51-L56 HydrophobicContact CB-CD2 3.99Å; L51-L56 HydrophobicContact CB-CG 4.43Å; L51-L56 HydrophobicContact CD1-CD2 4.01Å
52G93.8Very high93.5Very high21 Ų2157.9 Ų57.922%0.21630%0.298CS..  trans-83.6161.2171.900000112.1N36 K54 H55N36-G52 WeakPolarHBondContact O-CA 3.45Å; G52-K54 PolarHBondContact O-N 2.74Å; G52-H55 PolarHBondContact O-N 2.81Å
53P92.4Very high93.3Very high37 Ų3761.9 Ų61.924%0.2432%0.316CS..G310 helixtrans-62.6-14.2-178.125.4-33.6000114Y9 N36 Y38 H55Y9-P53 HydrophobicContact CD2-CB 4.45Å; Y9-P53 HydrophobicContact CE2-CB 4.07Å; N36-P53 WeakPolarHBondContact O-CD 3.27Å; Y38-P53 HydrophobicContact CE2-CB 3.97Å; Y38-P53 HydrophobicContact CE2-CG 4.22Å; P53-H55 VanDerWaalsContact C-N 3.28Å; P53-H55 PolarHBondContact O-N 3.01Å
54K93.1Very high93.2Very high180 Ų18070.1 Ų70.178%0.78335%0.354SS*.G310 helixtrans-70.6-22.9174.8-64.6-178.8178.91760113.4G52G52-K54 PolarHBondContact O-N 2.74Å
55H94.5Very high93Very high88 Ų8877.8 Ų77.841%0.40738%0.379SS..G310 helixtrans-108.27.5-176.4-62.1-63.2000112.5A17 K18 L51 G52 P53A17-H55 WeakPolarHBondContact CA-O 3.3Å; K18-H55 PolarHBondContact N-O 2.85Å; L51-H55 HydrophobicContact CD2-CB 4.15Å; G52-H55 PolarHBondContact O-N 2.81Å; P53-H55 VanDerWaalsContact C-N 3.28Å; P53-H55 PolarHBondContact O-N 3.01Å
56L94.7Very high92.8Very high4 Ų477.1 Ų77.12%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-113127.2-178.9-57175.2000108.3Y9 V15 A17 I29 Y38 V40 L51Y9-L56 HydrophobicContact CD2-CB 4.37Å; Y9-L56 HydrophobicContact CD2-CD1 4.06Å; Y9-L56 HydrophobicContact CE2-CB 3.84Å; Y9-L56 HydrophobicContact CE2-CD1 4.29Å; Y9-L56 PolarHBondContact OH-O 2.86Å; Y9-L56 VanDerWaalsContact OH-O 3.09Å; V15-L56 HydrophobicContact CG2-CD2 4.26Å; A17-L56 HydrophobicContact CB-CD2 4.14Å; I29-L56 HydrophobicContact CD1-CD1 3.84Å; I29-L56 HydrophobicContact CD1-CD2 4.47Å; Y38-L56 HydrophobicContact CD2-CD1 3.6Å; Y38-L56 HydrophobicContact CE2-CD1 4.48Å; Y38-L56 HydrophobicContact CG-CD1 3.93Å; V40-L56 HydrophobicContact CG1-CD2 4.37Å; V40-L56 HydrophobicContact CG2-CD1 4.25Å; V40-L56 HydrophobicContact CG2-CD2 3.77Å; L51-L56 HydrophobicContact CB-CD2 3.99Å; L51-L56 HydrophobicContact CB-CG 4.43Å; L51-L56 HydrophobicContact CD1-CD2 4.01Å
57F94.6Very high92.5Very high69 Ų6975.3 Ų75.330%0.30337%0.372SS..EExtended strand (participates in β ladder)trans-120.7129.2-178.7-62.1-88000107.9V15 F16 K18 H24 Y59V15-F57 CarbonylContact C-O 3.55Å; V15-F57 WeakPolarHBondContact CA-O 3.47Å; V15-F57 WeakPolarHBondContact CB-O 3.19Å; F16-F57 HydrophobicContact CB-CB 4.28Å; F16-F57 PolarHBondContact N-O 3.25Å; F16-F57 PolarHBondContact O-N 2.88Å; K18-F57 HydrophobicContact CB-CD2 4.29Å; K18-F57 HydrophobicContact CB-CE2 3.69Å; K18-F57 HydrophobicContact CG-CE2 4.41Å; H24-F57 AromaticContact CD2-CD2 3.89Å; H24-F57 AromaticContact CD2-CE2 3.94Å; H24-F57 AromaticContact NE2-CE2 3.96Å; F57-Y59 PolarHBondContact O-N 2.85Å
58P95.1Very high92.3Very high54 Ų5476.1 Ų76.135%0.35137%0.374SS..EExtended strand (participates in β ladder)trans-55.4135.3178-2433.8000111.7Y9 E60 S62Y9-P58 HydrophobicContact CE1-CG 4.31Å; P58-E60 PolarHBondContact O-N 2.79Å; P58-S62 WeakPolarHBondContact O-CB 3.34Å; P58-S62 PolarHBondContact O-N 3.13Å; P58-S62 PolarHBondContact O-OG 2.8Å
59Y93.6Very high92.1Very high13 Ų1379.2 Ų79.25%0.05140%0.395CS..Hα-helixtrans-57.8-48.7-178.2179.9-106.8000111.9L14 F16 F57 E61 S62 K63 I82 E83L14-Y59 HydrophobicContact CB-CG 4.18Å; L14-Y59 VanDerWaalsContact O-CB 3.25Å; L14-Y59 WeakPolarHBondContact O-CB 3.38Å; L14-Y59 PolarHBondContact O-N 2.82Å; L14-Y59 VanDerWaalsContact O-N 3.07Å; F16-Y59 AromaticContact CD2-CD2 3.92Å; F16-Y59 HydrophobicContact CD2-CD2 3.92Å; F16-Y59 AromaticContact CE2-CD2 3.27Å; F16-Y59 HydrophobicContact CE2-CD2 3.27Å; F16-Y59 AromaticContact CE2-CE2 3.59Å; F16-Y59 HydrophobicContact CE2-CE2 3.59Å; F16-Y59 HydrophobicContact CE2-CG 4.26Å; F16-Y59 AromaticContact CZ-CD2 3.7Å; F16-Y59 HydrophobicContact CZ-CD2 3.7Å; F16-Y59 AromaticContact CZ-CE2 3.56Å; F16-Y59 HydrophobicContact CZ-CE2 3.56Å; F57-Y59 PolarHBondContact O-N 2.85Å; Y59-E61 PolarHBondContact O-N 2.93Å; Y59-S62 PolarHBondContact O-N 3.11Å; Y59-S62 VanDerWaalsContact O-N 3.07Å; Y59-K63 HydrophobicContact CE1-CB 4.29Å; Y59-K63 HydrophobicContact CE1-CD 4.19Å; Y59-K63 HydrophobicContact CE2-CB 4.24Å; Y59-K63 WeakPolarHBondContact O-CB 3.34Å; Y59-K63 PolarHBondContact O-N 3.43Å; Y59-I82 HydrophobicContact CD2-CD1 3.49Å; Y59-I82 VanDerWaalsContact CD2-CD1 3.49Å; Y59-I82 HydrophobicContact CD2-CG1 4.25Å; Y59-I82 HydrophobicContact CE2-CD1 3.7Å; Y59-I82 HydrophobicContact CE2-CG1 4.13Å; Y59-I82 HydrophobicContact CE2-CG2 3.85Å; Y59-I82 HydrophobicContact CG-CD1 4.14Å; Y59-E83 VanDerWaalsContact OH-CG 3.3Å; Y59-E83 WeakPolarHBondContact OH-CG 3.43Å; Y59-E83 PolarHBondContact OH-OE1 3.48Å
60E91.8Very high91.9Very high125 Ų12580.6 Ų80.658%0.58440%0.397SS*.Hα-helixtrans-61-38.7-173.1-71.1-53.2154.500114.7P58 S62 K63P58-E60 PolarHBondContact O-N 2.79Å; E60-S62 VanDerWaalsContact C-N 3.34Å; E60-K63 WeakPolarHBondContact OE2-CE 3.19Å; E60-K63 IonicContact OE2-NZ 2.84Å; E60-K63 PolarHBondContact OE2-NZ 2.78Å
61E92Very high91.7Very high158 Ų15885.9 Ų85.974%0.73842%0.416SS*.Hα-helixtrans-75.3-30.3178.8-169.4-178.5120.200111.7Y59Y59-E61 PolarHBondContact O-N 2.93Å
62S91.5Very high91.4Very high5 Ų590.6 Ų90.64%0.03543%0.433CS..Hα-helixtrans-101.1-12.5-168.2-65.50000113.9P58 Y59 E60 E64 R65 F66P58-S62 WeakPolarHBondContact O-CB 3.34Å; P58-S62 PolarHBondContact O-N 3.13Å; P58-S62 PolarHBondContact O-OG 2.8Å; Y59-S62 PolarHBondContact O-N 3.11Å; Y59-S62 VanDerWaalsContact O-N 3.07Å; E60-S62 VanDerWaalsContact C-N 3.34Å; S62-E64 VanDerWaalsContact C-N 3.31Å; S62-E64 PolarHBondContact O-N 2.99Å; S62-R65 PolarHBondContact O-N 3.05Å; S62-F66 PolarHBondContact O-N 3.49Å
63K91.1Very high91.3Very high92 Ų92100.8 Ų100.840%0.447%0.465SS..Hα-helixtrans-59.6-38-177.472.6-175.5-174-170.20113.2F16 Y59 E60 R65 G67F16-K63 HydrophobicContact CE2-CB 4.35Å; Y59-K63 HydrophobicContact CE1-CB 4.29Å; Y59-K63 HydrophobicContact CE1-CD 4.19Å; Y59-K63 HydrophobicContact CE2-CB 4.24Å; Y59-K63 WeakPolarHBondContact O-CB 3.34Å; Y59-K63 PolarHBondContact O-N 3.43Å; E60-K63 WeakPolarHBondContact OE2-CE 3.19Å; E60-K63 IonicContact OE2-NZ 2.84Å; E60-K63 PolarHBondContact OE2-NZ 2.78Å; K63-R65 PolarHBondContact O-N 3.33Å; K63-G67 VanDerWaalsContact O-CA 3.23Å; K63-G67 WeakPolarHBondContact O-CA 3.37Å; K63-G67 PolarHBondContact O-N 2.87Å
64E91Very high91.3Very high173 Ų17399.9 Ų99.981%0.80846%0.462SS*.Hα-helixtrans-65.9-29.2178.1-167.8-179.6156.100111.9S62S62-E64 VanDerWaalsContact C-N 3.31Å; S62-E64 PolarHBondContact O-N 2.99Å
65R90.3Very high91.3Very high175 Ų17591.4 Ų91.466%0.6643%0.425SS*.Hα-helixtrans-90-41.6-177.7-61.8-174.162.7-165.3-1.8112.9S62 K63S62-R65 PolarHBondContact O-N 3.05Å; K63-R65 PolarHBondContact O-N 3.33Å
66F87.4Confident91.2Very high37 Ų3790.3 Ų90.316%0.16243%0.427CS..Hα-helixtrans-113.7-7.6-170.5-52.5-44.3000114.5F16 H24 S62 K68F16-F66 HydrophobicContact CB-CD2 4.41Å; F16-F66 HydrophobicContact CD1-CB 4.11Å; F16-F66 HydrophobicContact CD2-CD2 4.4Å; F16-F66 HydrophobicContact CE1-CB 4.02Å; F16-F66 HydrophobicContact CE2-CB 4.42Å; F16-F66 HydrophobicContact CG-CB 4.35Å; F16-F66 HydrophobicContact CG-CD2 4.28Å; F16-F66 HydrophobicContact CZ-CB 4.18Å; H24-F66 HydrophobicContact CB-CB 3.95Å; H24-F66 HydrophobicContact CB-CD1 4Å; H24-F66 HydrophobicContact CB-CD2 3.61Å; H24-F66 HydrophobicContact CB-CE1 4.47Å; H24-F66 HydrophobicContact CB-CE2 4.15Å; H24-F66 HydrophobicContact CB-CG 3.58Å; H24-F66 AromaticContact CD2-CE2 3.75Å; H24-F66 AromaticContact CD2-CZ 3.94Å; H24-F66 AromaticContact CE1-CE1 3.48Å; H24-F66 VanDerWaalsContact CE1-CE1 3.48Å; H24-F66 WeakPolarHBondContact CE1-CE1 3.46Å; H24-F66 AromaticContact CE1-CE2 3.97Å; H24-F66 AromaticContact CE1-CZ 3.36Å; H24-F66 WeakPolarHBondContact CE1-CZ 3.45Å; H24-F66 AromaticContact CG-CD1 3.86Å; H24-F66 AromaticContact CG-CD2 3.63Å; H24-F66 AromaticContact CG-CE1 3.83Å; H24-F66 AromaticContact CG-CE2 3.64Å; H24-F66 AromaticContact CG-CG 3.79Å; H24-F66 AromaticContact CG-CZ 3.74Å; H24-F66 AromaticContact ND1-CD1 3.43Å; H24-F66 WeakPolarHBondContact ND1-CD1 3.16Å; H24-F66 AromaticContact ND1-CD2 3.99Å; H24-F66 AromaticContact ND1-CE1 3.15Å; H24-F66 WeakPolarHBondContact ND1-CE1 3.39Å; H24-F66 AromaticContact ND1-CE2 3.78Å; H24-F66 AromaticContact ND1-CG 3.88Å; H24-F66 AromaticContact ND1-CZ 3.37Å; H24-F66 WeakPolarHBondContact ND1-CZ 3.49Å; H24-F66 AromaticContact NE2-CZ 3.77Å; S62-F66 PolarHBondContact O-N 3.49Å; F66-K68 PolarHBondContact O-N 2.81Å
67G87.1Confident91.2Very high31 Ų3195.3 Ų95.332%0.3245%0.45SS..  trans-71.115.317300000114.5K63K63-G67 VanDerWaalsContact O-CA 3.23Å; K63-G67 WeakPolarHBondContact O-CA 3.37Å; K63-G67 PolarHBondContact O-N 2.87Å
68K89.1Confident91.2Very high146 Ų14692 Ų9264%0.63544%0.436SS*.SBendtrans-83.1132.2177.7-64.4-179.3-177.6-179.60109.5F66 N70 F75F66-K68 PolarHBondContact O-N 2.81Å; K68-N70 PolarHBondContact O-N 2.78Å; K68-F75 VanDerWaalsContact O-CE1 3.24Å; K68-F75 WeakPolarHBondContact O-CE1 3.45Å
69P88.6Confident91.1Very high109 Ų10990.4 Ų90.471%0.70843%0.425SS*.  trans-57.1134.1179.122.3-32.1000111.1
70N88.9Confident91.1Very high59 Ų5997 Ų9732%0.31645%0.449SS..  trans-114.5153.2-176.6-162.7-30.9000110.5A23 K68 R72 F75A23-N70 WeakPolarHBondContact CB-ND2 3.39Å; K68-N70 PolarHBondContact O-N 2.78Å; N70-R72 PolarHBondContact O-N 2.96Å; N70-F75 HydrophobicContact CB-CB 4.1Å; N70-F75 HydrophobicContact CB-CD1 3.27Å; N70-F75 HydrophobicContact CB-CD2 4.12Å; N70-F75 HydrophobicContact CB-CE1 3.6Å; N70-F75 HydrophobicContact CB-CE2 4.38Å; N70-F75 HydrophobicContact CB-CG 3.55Å; N70-F75 HydrophobicContact CB-CZ 4.15Å
71K90.3Very high91.2Very high213 Ų21391.7 Ų91.793%0.92643%0.425SS*.SBendtrans-71.6-9.2179.1-71.4-174.8173.9-177.10114.3
72R89.2Confident91.2Very high114 Ų11484.3 Ų84.343%0.4339%0.39SS..SBendtrans-69136.1176.9-73.6-90.1-171.1177.93.8109.8G21 W25 N70 F75G21-R72 PolarHBondContact O-NH2 2.84Å; W25-R72 HydrophobicContact CH2-CB 3.92Å; W25-R72 HydrophobicContact CZ3-CB 3.78Å; W25-R72 HydrophobicContact CZ3-CG 4.19Å; N70-R72 PolarHBondContact O-N 2.96Å; R72-F75 HydrophobicContact CB-CB 4.19Å; R72-F75 WeakPolarHBondContact O-CB 3.46Å; R72-F75 PolarHBondContact O-N 3.28Å
73R91.2Very high91.2Very high235 Ų23590 Ų9089%0.88742%0.416SS*.THydrogen-bonded Turntrans-62141.8173.2-64.6-143.4-62.4-156.81.3110.4W25 F75W25-R73 WeakPolarHBondContact CH2-O 3.41Å; R73-F75 PolarHBondContact O-N 3.36Å
74G91.3Very high91.3Very high17 Ų1791.1 Ų91.118%0.17542%0.423CS..THydrogen-bonded Turntrans78.4-12.3-177.200000114.6G44 G78G44-G74 WeakPolarHBondContact CA-O 3.39Å; G74-G78 PolarHBondContact O-N 3.33Å
75F93.4Very high91.1Very high3 Ų386.6 Ų86.61%0.01340%0.404CS..Hα-helixtrans-70.5-49.1-177.9-172.3-89.4000112.8H24 W25 K68 N70 R72 R73 E77 G78 L79H24-F75 WeakPolarHBondContact O-CE2 3.44Å; W25-F75 AromaticContact CD2-CD2 3.91Å; W25-F75 HydrophobicContact CD2-CD2 3.91Å; W25-F75 AromaticContact CE3-CD2 3.72Å; W25-F75 HydrophobicContact CE3-CD2 3.72Å; W25-F75 HydrophobicContact CE3-CE2 4.38Å; W25-F75 HydrophobicContact CH2-CB 3.88Å; W25-F75 HydrophobicContact CH2-CD2 4.25Å; W25-F75 HydrophobicContact CZ2-CB 4.13Å; W25-F75 HydrophobicContact CZ2-CD2 4.41Å; W25-F75 HydrophobicContact CZ3-CB 4.24Å; W25-F75 AromaticContact CZ3-CD2 3.9Å; W25-F75 HydrophobicContact CZ3-CD2 3.9Å; K68-F75 VanDerWaalsContact O-CE1 3.24Å; K68-F75 WeakPolarHBondContact O-CE1 3.45Å; N70-F75 HydrophobicContact CB-CB 4.1Å; N70-F75 HydrophobicContact CB-CD1 3.27Å; N70-F75 HydrophobicContact CB-CD2 4.12Å; N70-F75 HydrophobicContact CB-CE1 3.6Å; N70-F75 HydrophobicContact CB-CE2 4.38Å; N70-F75 HydrophobicContact CB-CG 3.55Å; N70-F75 HydrophobicContact CB-CZ 4.15Å; R72-F75 HydrophobicContact CB-CB 4.19Å; R72-F75 WeakPolarHBondContact O-CB 3.46Å; R72-F75 PolarHBondContact O-N 3.28Å; R73-F75 PolarHBondContact O-N 3.36Å; F75-E77 VanDerWaalsContact C-N 3.28Å; F75-E77 PolarHBondContact O-N 2.98Å; F75-G78 PolarHBondContact O-N 3.29Å; F75-L79 HydrophobicContact CD1-CD1 3.94Å; F75-L79 HydrophobicContact CD1-CG 4.18Å; F75-L79 HydrophobicContact CE1-CD1 3.45Å; F75-L79 VanDerWaalsContact CE1-CD1 3.45Å; F75-L79 HydrophobicContact CE1-CD2 4.42Å; F75-L79 HydrophobicContact CE1-CG 3.82Å; F75-L79 HydrophobicContact CZ-CD1 4.31Å; F75-L79 HydrophobicContact CZ-CG 4.39Å; F75-L79 PolarHBondContact O-N 3.3Å
76S93.2Very high90.8Very high64 Ų6481 Ų8145%0.44839%0.391SS..Hα-helixtrans-66.1-33.9178.2-54.60000112W80S76-W80 PolarHBondContact O-N 3.4Å
77E94Very high90.4Very high109 Ų10986.4 Ų86.451%0.50942%0.418SS..Hα-helixtrans-64.5-48.5172.8-179.7172.8-163.900110.4F75 L79 W80 E81F75-E77 VanDerWaalsContact C-N 3.28Å; F75-E77 PolarHBondContact O-N 2.98Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.31Å; E77-W80 WeakPolarHBondContact O-CA 3.32Å; E77-W80 WeakPolarHBondContact O-CB 3.38Å; E77-W80 PolarHBondContact O-N 3.46Å; E77-E81 WeakPolarHBondContact O-CG 3.41Å; E77-E81 PolarHBondContact O-N 2.97Å
78G94.5Very high90.1Very high0 Ų086.5 Ų86.50%041%0.412CS..Hα-helixtrans-64.4-31.2178.100000114.1P26 F43 G74 F75 W80 I82P26-G78 VanDerWaalsContact CG-C 3.48Å; F43-G78 VanDerWaalsContact C-CA 3.45Å; F43-G78 VanDerWaalsContact CB-CA 3.45Å; F43-G78 WeakPolarHBondContact CB-O 3.25Å; G74-G78 PolarHBondContact O-N 3.33Å; F75-G78 PolarHBondContact O-N 3.29Å; G78-W80 VanDerWaalsContact C-N 3.3Å; G78-I82 WeakPolarHBondContact O-CG2 3.24Å; G78-I82 PolarHBondContact O-N 3.46Å; G78-I82 VanDerWaalsContact O-N 3.08Å
79L93.6Very high89.4Confident21 Ų2184.9 Ų84.911%0.1141%0.407CS..Hα-helixtrans-67.5-31.9170.9-78.7-176.6000112.5F16 P26 F75 E77 I82F16-L79 HydrophobicContact CE1-CD2 4.06Å; F16-L79 HydrophobicContact CZ-CD2 4.19Å; P26-L79 HydrophobicContact CB-CD2 4.17Å; P26-L79 HydrophobicContact CG-CD2 4.1Å; P26-L79 HydrophobicContact CG-CG 4.31Å; F75-L79 HydrophobicContact CD1-CD1 3.94Å; F75-L79 HydrophobicContact CD1-CG 4.18Å; F75-L79 HydrophobicContact CE1-CD1 3.45Å; F75-L79 VanDerWaalsContact CE1-CD1 3.45Å; F75-L79 HydrophobicContact CE1-CD2 4.42Å; F75-L79 HydrophobicContact CE1-CG 3.82Å; F75-L79 HydrophobicContact CZ-CD1 4.31Å; F75-L79 HydrophobicContact CZ-CG 4.39Å; F75-L79 PolarHBondContact O-N 3.3Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.31Å; L79-I82 WeakPolarHBondContact O-CG2 3.23Å
80W93.3Very high88.2Confident150 Ų15080.3 Ų80.357%0.56838%0.378SS*.Hα-helixtrans-75.1-44.4175.7-174.985.1000110.8S76 E77 G78 I82 E83 H84S76-W80 PolarHBondContact O-N 3.4Å; E77-W80 WeakPolarHBondContact O-CA 3.32Å; E77-W80 WeakPolarHBondContact O-CB 3.38Å; E77-W80 PolarHBondContact O-N 3.46Å; G78-W80 VanDerWaalsContact C-N 3.3Å; W80-I82 PolarHBondContact O-N 3.3Å; W80-E83 PolarHBondContact O-N 3.08Å; W80-H84 AromaticContact CD1-CD2 3.37Å; W80-H84 AromaticContact CD1-NE2 3.79Å; W80-H84 HydrophobicContact CD2-CB 4.34Å; W80-H84 AromaticContact CD2-CD2 3.89Å; W80-H84 AromaticContact CE2-CD2 3.51Å; W80-H84 AromaticContact CE2-CG 3.91Å; W80-H84 HydrophobicContact CE3-CB 4.48Å; W80-H84 AromaticContact CG-CD2 3.81Å; W80-H84 HydrophobicContact CH2-CB 4.15Å; W80-H84 HydrophobicContact CZ2-CB 3.98Å; W80-H84 HydrophobicContact CZ3-CB 4.39Å; W80-H84 AromaticContact NE1-CD2 3.16Å; W80-H84 PolarHBondContact NE1-CD2 2.95Å; W80-H84 AromaticContact NE1-CG 3.93Å; W80-H84 AromaticContact NE1-NE2 3.54Å; W80-H84 WeakPolarHBondContact O-CB 3.3Å; W80-H84 PolarHBondContact O-CD2 2.86Å; W80-H84 VanDerWaalsContact O-CD2 3.29Å; W80-H84 PolarHBondContact O-N 3.47Å
81E94.5Very high86.5Confident15 Ų1582.5 Ų82.57%0.0740%0.398CS..Hα-helixtrans-59.4-46.5178.2-71179.2170.900112.4F43 G44 H46 E77 E83 H84 D85 V88F43-E81 WeakPolarHBondContact CA-OE2 3.11Å; F43-E81 HydrophobicContact CB-CB 4.16Å; F43-E81 WeakPolarHBondContact CB-OE2 3.39Å; F43-E81 HydrophobicContact CD1-CB 3.77Å; F43-E81 HydrophobicContact CG-CB 4.25Å; G44-E81 PolarHBondContact N-OE2 3.09Å; H46-E81 IonicContact CD2-OE1 3.99Å; H46-E81 IonicContact CD2-OE2 3.64Å; H46-E81 IonicContact CE1-OE1 3.48Å; H46-E81 PolarHBondContact CE1-OE1 3.26Å; H46-E81 VanDerWaalsContact NE2-CD 3.35Å; H46-E81 IonicContact NE2-OE1 2.82Å; H46-E81 PolarHBondContact NE2-OE1 3.28Å; H46-E81 IonicContact NE2-OE2 3.13Å; H46-E81 PolarHBondContact NE2-OE2 2.87Å; H46-E81 VanDerWaalsContact NE2-OE2 3.13Å; E77-E81 WeakPolarHBondContact O-CG 3.41Å; E77-E81 PolarHBondContact O-N 2.97Å; E81-E83 PolarHBondContact O-N 3.07Å; E81-E83 VanDerWaalsContact O-N 3.13Å; E81-H84 PolarHBondContact O-N 3.31Å; E81-D85 CarbonylContact O-C 3.47Å; E81-D85 WeakPolarHBondContact O-CA 3.43Å; E81-D85 PolarHBondContact O-N 2.88Å; E81-V88 HydrophobicContact CB-CG1 4.41Å
82I92.6Very high84.8Confident3 Ų377.8 Ų77.82%0.01539%0.389CS..Hα-helixtrans-61.4-27.1-177.9-166.8162.9000113.3L14 P26 F43 Y59 G78 L79 W80L14-I82 HydrophobicContact CB-CD1 4.22Å; L14-I82 HydrophobicContact CB-CG1 4.4Å; L14-I82 HydrophobicContact CD1-CG1 4.01Å; L14-I82 HydrophobicContact CD2-CD1 4.43Å; L14-I82 HydrophobicContact CD2-CG1 4.05Å; L14-I82 HydrophobicContact CG-CG1 4.37Å; P26-I82 HydrophobicContact CB-CB 4.33Å; P26-I82 HydrophobicContact CB-CD1 3.93Å; P26-I82 HydrophobicContact CB-CG2 4.09Å; F43-I82 HydrophobicContact CD2-CB 3.72Å; F43-I82 HydrophobicContact CD2-CD1 3.87Å; F43-I82 HydrophobicContact CD2-CG1 3.94Å; F43-I82 HydrophobicContact CE2-CB 3.76Å; F43-I82 HydrophobicContact CE2-CD1 3.67Å; F43-I82 HydrophobicContact CE2-CG1 3.55Å; F43-I82 HydrophobicContact CG-CB 4.28Å; F43-I82 HydrophobicContact CZ-CB 4.32Å; F43-I82 HydrophobicContact CZ-CG1 4.23Å; Y59-I82 HydrophobicContact CD2-CD1 3.49Å; Y59-I82 VanDerWaalsContact CD2-CD1 3.49Å; Y59-I82 HydrophobicContact CD2-CG1 4.25Å; Y59-I82 HydrophobicContact CE2-CD1 3.7Å; Y59-I82 HydrophobicContact CE2-CG1 4.13Å; Y59-I82 HydrophobicContact CE2-CG2 3.85Å; Y59-I82 HydrophobicContact CG-CD1 4.14Å; G78-I82 WeakPolarHBondContact O-CG2 3.24Å; G78-I82 PolarHBondContact O-N 3.46Å; G78-I82 VanDerWaalsContact O-N 3.08Å; L79-I82 WeakPolarHBondContact O-CG2 3.23Å; W80-I82 PolarHBondContact O-N 3.3Å
83E91.6Very high82.9Confident124 Ų12475.7 Ų75.758%0.57939%0.392SS*.Hα-helixtrans-89.9-33.7178.5-65.1-167.3161.800113.3Y59 W80 E81Y59-E83 VanDerWaalsContact OH-CG 3.3Å; Y59-E83 WeakPolarHBondContact OH-CG 3.43Å; Y59-E83 PolarHBondContact OH-OE1 3.48Å; W80-E83 PolarHBondContact O-N 3.08Å; E81-E83 PolarHBondContact O-N 3.07Å; E81-E83 VanDerWaalsContact O-N 3.13Å
84H91.3Very high80.8Confident116 Ų11672.7 Ų72.754%0.53739%0.393SS..Hα-helixtrans-110.2-33.1-170.4-67.3-69.6000114.3W80 E81W80-H84 AromaticContact CD1-CD2 3.37Å; W80-H84 AromaticContact CD1-NE2 3.79Å; W80-H84 HydrophobicContact CD2-CB 4.34Å; W80-H84 AromaticContact CD2-CD2 3.89Å; W80-H84 AromaticContact CE2-CD2 3.51Å; W80-H84 AromaticContact CE2-CG 3.91Å; W80-H84 HydrophobicContact CE3-CB 4.48Å; W80-H84 AromaticContact CG-CD2 3.81Å; W80-H84 HydrophobicContact CH2-CB 4.15Å; W80-H84 HydrophobicContact CZ2-CB 3.98Å; W80-H84 HydrophobicContact CZ3-CB 4.39Å; W80-H84 AromaticContact NE1-CD2 3.16Å; W80-H84 PolarHBondContact NE1-CD2 2.95Å; W80-H84 AromaticContact NE1-CG 3.93Å; W80-H84 AromaticContact NE1-NE2 3.54Å; W80-H84 WeakPolarHBondContact O-CB 3.3Å; W80-H84 PolarHBondContact O-CD2 2.86Å; W80-H84 VanDerWaalsContact O-CD2 3.29Å; W80-H84 PolarHBondContact O-N 3.47Å; E81-H84 PolarHBondContact O-N 3.31Å
85D87.8Confident78.6Confident78 Ų7877.2 Ų77.242%0.41742%0.421SS..  trans-138.668.5-179.3-155.2-64.4000111.5E81 M87 V88E81-D85 CarbonylContact O-C 3.47Å; E81-D85 WeakPolarHBondContact O-CA 3.43Å; E81-D85 PolarHBondContact O-N 2.88Å; D85-M87 PolarHBondContact O-N 3.02Å; D85-V88 WeakPolarHBondContact O-CG1 3.32Å; D85-V88 PolarHBondContact O-N 3.18Å; D85-V88 PolarHBondContact OD1-N 2.81Å
86P84.1Confident76.3Confident58 Ų5883.4 Ų83.438%0.37746%0.464SS..THydrogen-bonded Turntrans-70.7-9.6-179.228.9-35.4000113.1L14 R28L14-P86 HydrophobicContact CD2-CB 4.12Å; R28-P86 WeakPolarHBondContact CD-O 3.38Å; R28-P86 PolarHBondContact NH1-O 3.4Å
87M79.6Confident73.9Confident149 Ų14983.4 Ų83.473%0.73448%0.475SS*.THydrogen-bonded Turntrans-95.13.5-179.7-164.3170.3-91.100112.6R28 D85 E89R28-M87 VanDerWaalsContact NH1-C 3.34Å; R28-M87 PolarHBondContact NH1-O 3.34Å; D85-M87 PolarHBondContact O-N 3.02Å; M87-E89 WeakPolarHBondContact O-CG 3.44Å; M87-E89 PolarHBondContact O-N 3.28Å
88V79.3Confident71.7Confident34 Ų3487.3 Ų87.321%0.20649%0.493CS..  trans-57.7112.5175.168.30000110.4R28 F41 F43 E81 D85R28-V88 PolarHBondContact NH1-O 2.84Å; R28-V88 PolarHBondContact NH2-O 3.03Å; F41-V88 HydrophobicContact CE1-CG1 4.03Å; F41-V88 WeakPolarHBondContact CE1-O 3.42Å; F41-V88 HydrophobicContact CZ-CG1 4.28Å; F41-V88 WeakPolarHBondContact CZ-O 3.22Å; F43-V88 HydrophobicContact CD1-CG1 3.68Å; F43-V88 HydrophobicContact CE1-CG1 3.75Å; E81-V88 HydrophobicContact CB-CG1 4.41Å; D85-V88 WeakPolarHBondContact O-CG1 3.32Å; D85-V88 PolarHBondContact O-N 3.18Å; D85-V88 PolarHBondContact OD1-N 2.81Å
89E75.8Confident69.3Low112 Ų11295.9 Ų95.952%0.52353%0.533SS..PPolyproline II helixtrans-89.5131.9-179.1-62.4-57.9130.300110.2R28 M87R28-E89 IonicContact CZ-OE1 2.78Å; R28-E89 VanDerWaalsContact CZ-OE1 3.25Å; R28-E89 IonicContact CZ-OE2 3.25Å; R28-E89 IonicContact NH1-OE1 3.67Å; R28-E89 PolarHBondContact NH1-OE1 3.32Å; R28-E89 IonicContact NH2-OE1 2.71Å; R28-E89 PolarHBondContact NH2-OE1 2.85Å; R28-E89 IonicContact NH2-OE2 2.87Å; R28-E89 PolarHBondContact NH2-OE2 3.07Å; M87-E89 WeakPolarHBondContact O-CG 3.44Å; M87-E89 PolarHBondContact O-N 3.28Å
90A63Low67Low12 Ų12104.3 Ų104.310%0.09957%0.572CS.*PPolyproline II helixtrans-63.7141.3158.700000108.2F41 H46 P92F41-A90 HydrophobicContact CD2-CB 3.72Å; F41-A90 HydrophobicContact CE2-CB 3.27Å; F41-A90 VanDerWaalsContact CE2-N 3.3Å; F41-A90 HydrophobicContact CZ-CB 4.38Å; H46-A90 HydrophobicContact CB-CB 4.4Å; H46-A90 WeakPolarHBondContact O-CB 3.34Å; A90-P92 VanDerWaalsContact O-N 3.16Å
91S53.7Low64.4Low105 Ų105100.6 Ų100.673%0.73458%0.58SS**PPolyproline II helixtrans-49.8125.2160.553.10000108.9S93S91-S93 PolarHBondContact O-N 3.29Å
92P53.4Low61.5Low114 Ų114106.4 Ų106.474%0.7462%0.621SS**  trans-60.5106.6-17222.3-32.9000109.5A90 L94A90-P92 VanDerWaalsContact O-N 3.16Å; P92-L94 PolarHBondContact O-N 3.18Å
93S49.8Very low59Low71 Ų71113.2 Ų113.250%0.49766%0.657SS.*  trans-67.3103.4167.447.70000107.3S91 C95S91-S93 PolarHBondContact O-N 3.29Å; S93-C95 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 2.94Å
94L47.4Very low56.5Low172 Ų172115.6 Ų115.690%0.90167%0.668SS**  trans-49.486.8173.9-67.4161.3000111.2P92P92-L94 PolarHBondContact O-N 3.18Å
95C45.7Very low53.9Low112 Ų112113.6 Ų113.676%0.75768%0.679SS**  trans-149.576177-91.80000111.7S93S93-C95 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 2.94Å
96S44.4Very low52.3Low132 Ų132116.5 Ų116.592%0.92370%0.702SS**  trans166.8120.6151.6-77.50000106
97G43Very low49.8Very low65 Ų65117 Ų11767%0.6772%0.718SS**  cis146.1107.314.200000106.5
98E47Very low47.9Very low191 Ų191118 Ų11889%0.89373%0.725SS**  trans62.5137.5164.1-65143.3101.400118.6
99E45Very low45.8Very low180 Ų180126.2 Ų126.284%0.84175%0.752SS**  -167.5138.454.858-170.3103.600113.6
100Q45.9Very low43.9Very low197 Ų197126.4 Ų126.492%0.92176%0.757SS**  trans-176.8116.4130.2-120.1170.754.600110.5
101G38Very low42.8Very low72 Ų72133.6 Ų133.674%0.74279%0.788SS**  trans-98.2155.5173.400000112.6
102C32.6Very low42.4Very low137 Ų137134 Ų13493%0.92679%0.789SS**  trans-165.4144.1137.236.50000111.5
103D40.6Very low41.8Very low146 Ų146135.8 Ų135.878%0.78179%0.787SS**  trans-86.1159.7-173.4177.3-124000112.4
104Q39.6Very low41.6Very low175 Ų175138 Ų13882%0.81880%0.8SS**  trans103.4117.2164.8-52.7-137.790.200120
105G35.9Very low40.8Very low73 Ų73132.4 Ų132.475%0.75378%0.784SS**  trans-86.4-140.8170.200000113.8
106P54.9Low40.5Very low140 Ų140134.8 Ų134.891%0.90979%0.788SS**  -104.6163.4-76.436.8-29.1000112.4
107G31.1Very low40.4Very low69 Ų69135.9 Ų135.971%0.71178%0.779SS**  trans142.4104.5152.100000119.9
108L39.5Very low40.3Very low168 Ų168139 Ų13988%0.8879%0.787SS**  74.7113.2129.7-57.7178.9000122.4
109R36.2Very low40Very low208 Ų208137.5 Ų137.579%0.78578%0.78SS**  82.3132.6123-153.7170.7-161.6-67.6-15.2116
110D34.5Very low39.6Very low116 Ų116133.8 Ų133.862%0.6277%0.774SS**  cis-153.4152.729.5-139.8-166.3000111.5
111E41.3Very low39.2Very low162 Ų162130.4 Ų130.476%0.75776%0.761SS**  trans-54.9179.1167.9-116-16560.300115
112P44Very low39.3Very low114 Ų114133.2 Ų133.274%0.7477%0.769SS**  cis-136.2161.125.130.5-5.8000119.6
113E40.8Very low39.5Very low151 Ų151134.7 Ų134.771%0.70676%0.762SS**  trans-59.1-176169.6-110.2-131.7109.900114.7G115E113-G115 PolarHBondContact OE1-N 2.71Å; E113-G115 VanDerWaalsContact OE1-N 3.09Å
114P47Very low39.5Very low119 Ų119134.9 Ų134.977%0.77376%0.762SS**  cis-143.3165.521.836-13.7000118.9
115G28.8Very low39.4Very low54 Ų54135.3 Ų135.356%0.55776%0.764SS**  trans158.1101.1141.700000117.5E113E113-G115 PolarHBondContact OE1-N 2.71Å; E113-G115 VanDerWaalsContact OE1-N 3.09Å
116L39.9Very low39.8Very low162 Ų162137 Ų13785%0.84876%0.762SS**  trans11382.8147-52.6179.6000116.8
117E43.2Very low38.9Very low154 Ų154133.9 Ų133.972%0.7276%0.755SS**  trans46.9111.9132-48.6-76.884.100119.7
118P41.4Very low39.7Very low132 Ų132136.4 Ų136.486%0.85776%0.759SS**  trans-113.5100.7142.233-24.9000110.2S120P118-S120 PolarHBondContact O-N 3.26Å
119E40.1Very low40Very low159 Ų159136 Ų13674%0.74375%0.753SS**  trans-75.6113.7170.3-61-148.910400110.4
120S37.1Very low40.5Very low101 Ų101132 Ų13271%0.70675%0.754SS**  64.8139.5127.584.20000117.9P118P118-S120 PolarHBondContact O-N 3.26Å
121L35.9Very low41Very low126 Ų126134.1 Ų134.166%0.6676%0.759SS**  cis-167.5130.4-0.6-153.9117.3000102.8E123L121-E123 HydrophobicContact CD2-CB 3.93Å; L121-E123 HydrophobicContact CD2-CG 4.06Å; L121-E123 WeakPolarHBondContact CD2-OE2 3.36Å; L121-E123 PolarHBondContact O-N 3.01Å
122C40.3Very low40.6Very low132 Ų132133 Ų13389%0.89276%0.764SS**  trans-71.9111.6159.5-69.90000106.5
123E37.3Very low40.5Very low168 Ų168133.6 Ų133.679%0.78577%0.765SS**  trans-115.1111.9167.8-145.3169.892.300108.9L121L121-E123 HydrophobicContact CD2-CB 3.93Å; L121-E123 HydrophobicContact CD2-CG 4.06Å; L121-E123 WeakPolarHBondContact CD2-OE2 3.36Å; L121-E123 PolarHBondContact O-N 3.01Å
124L41.5Very low40.4Very low150 Ų150131.3 Ų131.379%0.78577%0.766SS**  trans-62.9142.7164.1-68.9124.3000109
125E36.7Very low40.4Very low184 Ų184134.6 Ų134.686%0.8677%0.771SS**  trans-144.2143.5130.2-90-69.383.800109.6
126P44.9Very low41Very low108 Ų108140.5 Ų140.570%0.70178%0.784SS**  trans-105.8152.5-167.838.7-31.1000114.9
127G35.5Very low41.2Very low74 Ų74141.3 Ų141.376%0.76378%0.784SS**  trans79.4168.1153.700000117.9
128P47.1Very low41.4Very low123 Ų123140.4 Ų140.480%0.79979%0.791SS**  cis-124.7160.47.338.3-22.6000114.7
129E47.1Very low41Very low160 Ų160137.3 Ų137.375%0.74878%0.783SS**  trans-54.6162.5159-52.3-178.8101.400110.8
130P45.8Very low41.4Very low124 Ų124135.7 Ų135.781%0.80579%0.787SS**  -128.7128.2110.733.5-27.9000113.1
131E44.6Very low42Very low159 Ų159139.3 Ų139.374%0.74379%0.792SS**  trans-50134.8156.3-54.8-146.898.200111
132T33.9Very low42.3Very low138 Ų138138.3 Ų138.385%0.84779%0.794SS**  trans-132.9102.5141.332.30000108.4
133V40.7Very low42.5Very low128 Ų128136.8 Ų136.878%0.77679%0.79SS**  trans-32.3129.8151.7590000111.6
134S40.1Very low42.7Very low103 Ų103138.4 Ų138.472%0.7279%0.791SS**  trans-158.588.7138.2-146.40000110Q136S134-Q136 PolarHBondContact O-N 3.13Å
135E46.5Very low42.4Very low187 Ų187134.7 Ų134.787%0.87479%0.788SS**  trans-57.4112.6150.5-157.9-173.4119.500107.5
136Q40.7Very low42.8Very low178 Ų178133 Ų13383%0.83278%0.784SS**  trans-151.4129.3160-151.3130.773.600111.5S134S134-Q136 PolarHBondContact O-N 3.13Å
137Q45.2Very low42.7Very low180 Ų180136.7 Ų136.784%0.84180%0.797SS**  trans-47162-175.2-72.7-177.6-29.300117
138P45.9Very low42.6Very low134 Ų134139.8 Ų139.887%0.8780%0.796SS**  trans-73.9135.9167.932.5-32.1000110.5
139G35Very low42Very low68 Ų68138 Ų13870%0.70179%0.792SS**  trans-142.416517500000111.6
140P47Very low41.5Very low125 Ų125135 Ų13581%0.81279%0.794SS**  -106.9166-99.635.4-34000114.3
141Q50.1Low41.3Very low176 Ų176134 Ų13482%0.82280%0.796SS**  trans-52.3139.4165.9-16.5-80.4-27.800110.6A143Q141-A143 PolarHBondContact O-N 3.28Å
142P41.5Very low41.4Very low106 Ų106134.9 Ų134.969%0.68880%0.8SS**  trans-82.8101.4159.929-27.1000109.9Y144P142-Y144 HydrophobicContact CB-CD1 4.13Å; P142-Y144 HydrophobicContact CB-CE1 3.64Å
143A45.1Very low41.9Very low99 Ų99136.7 Ų136.782%0.81880%0.799SS**  trans-89.6111.2155.400000108.7Q141Q141-A143 PolarHBondContact O-N 3.28Å
144Y41.3Very low42.7Very low203 Ų203138.5 Ų138.580%0.79680%0.799SS**  trans-154128.8153.850.3-93.7000104.7P142P142-Y144 HydrophobicContact CB-CD1 4.13Å; P142-Y144 HydrophobicContact CB-CE1 3.64Å
145G35.9Very low42.9Very low71 Ų71139.6 Ų139.673%0.73280%0.804SS**  cis137.989.920.200000106.4
146L43.8Very low42.2Very low150 Ų150133.6 Ų133.679%0.78579%0.793SS**  trans42.8106.9143.3-156.268000118.6D148L146-D148 HydrophobicContact CD1-CB 4.03Å; L146-D148 HydrophobicContact CG-CB 4.37Å
147L43.3Very low42Very low184 Ų184134 Ų13496%0.96380%0.799SS**  trans-121.297.8142.6-53.4169000105.9
148D33.9Very low41.3Very low139 Ų139128.4 Ų128.474%0.74379%0.79SS**  trans-94.8128.2169-171.8-83.8000107.8L146L146-D148 HydrophobicContact CD1-CB 4.03Å; L146-D148 HydrophobicContact CG-CB 4.37Å
149A34.9Very low40.9Very low86 Ų86130 Ų13071%0.71179%0.786SS**  trans179.7101.5140.500000110.1
150A35.3Very low40.8Very low97 Ų97134.5 Ų134.580%0.80279%0.789SS**  trans49.8112.413100000119.7
151A41.9Very low40.3Very low102 Ų102133 Ų13384%0.84379%0.787SS**  -160.610512400000108.8
152E47.2Very low39.5Very low178 Ų178134 Ų13483%0.83279%0.792SS**  trans-61.3146.8163.3-59.2-108.1105.300109.9
153E44.8Very low39.2Very low176 Ų176133.3 Ų133.382%0.82280%0.795SS**  167.6113120.1-87.5-82.6104.700109.3
154E57.5Low38.7Very low166 Ų166132.1 Ų132.178%0.77679%0.792SS**  trans-60.2161.1150.4-67.6-87.6121.200108.9
155P44.5Very low38.4Very low127 Ų127129.1 Ų129.183%0.82579%0.79SS**  -148.6147.5107.732.1-14.5000115.1
156G31.7Very low38.7Very low61 Ų61133.7 Ų133.763%0.62979%0.792SS**  trans-109155157.500000112.5
157L35.6Very low38.2Very low185 Ų185134.9 Ų134.997%0.96979%0.794SS**  trans83.3133.4156.5-89.2113.8000122.9
158G31.6Very low38Very low63 Ų63129.4 Ų129.465%0.64978%0.775SS**  trans117.7101.7153.200000113.9
159E36.6Very low38Very low169 Ų169130.7 Ų130.779%0.7978%0.776SS**  64.6127.894.9-88.517058.600111.7
160E33.7Very low38.1Very low161 Ų161131.6 Ų131.675%0.75278%0.783SS**  cis-168.2168.741-54.5-87.85500110.3
161A36.7Very low38.2Very low95 Ų95136.1 Ų136.179%0.78579%0.788SS**  trans9395.5144.300000122.4
162E32.4Very low38Very low195 Ų195135.8 Ų135.891%0.91179%0.785SS**  49.2116.7117.3-156.5-171.513400121.3
163A36.2Very low37.6Very low93 Ų93136.1 Ų136.177%0.76979%0.787SS**  172.2131115.400000113.9
164G33Very low37.3Very low73 Ų73131.1 Ų131.175%0.75378%0.776SS**  trans82.595.4148.400000117.3
165D36.5Very low36.3Very low140 Ų140133.1 Ų133.175%0.74978%0.782SS**  73.893.781.7-163.2-119.5000114.5
166Q41.5Very low36.4Very low167 Ų167135.6 Ų135.678%0.7878%0.782SS**  165.7111.3118.3-88.2163.310900112.2
167H34.3Very low37.1Very low176 Ų176136.4 Ų136.482%0.81578%0.777SS**  44.2137.3119.3-139-111.1000121.5
168A37.5Very low37.1Very low68 Ų68139.4 Ų139.456%0.56278%0.775SS**  trans93.395.6146.900000119.5
169E33.8Very low37.5Very low167 Ų167144 Ų14478%0.7878%0.78SS**  7.8131.7124.660.1-132.179.300119.9
170A37.9Very low37.7Very low104 Ų104144.2 Ų144.286%0.8679%0.785SS**  -177137.9127.700000111.5
171E37.5Very low38Very low193 Ų193145.7 Ų145.790%0.90279%0.789SS**  trans-73.3169172.7-53.4-171.6115.900112.8
172A37.4Very low38.2Very low95 Ų95152.9 Ų152.979%0.78580%0.796SS**  trans126.3122.4140.900000117.3
173E38Very low38.7Very low184 Ų184149.2 Ų149.286%0.8679%0.791SS**  trans59.6125.2135.6-105-165105.700123.6
174A39.7Very low38.8Very low72 Ų72150.1 Ų150.160%0.59580%0.799SS**  trans54.6118.3133.300000120.4
175K36.6Very low38.8Very low207 Ų207150.2 Ų150.290%0.980%0.8SS**  167.6122.2111.2-88.7178.2-174.3-172.20112.7
176E46.5Very low38.9Very low179 Ų179152.3 Ų152.384%0.83681%0.805SS**  trans-71.7175.8153.2-110.2-158.499.800110.6
177P45.5Very low39.1Very low79 Ų79153.9 Ų153.951%0.51381%0.813SS.*  cis-123.9162.9-47.529.9-12000110.5
178R37.1Very low39.2Very low248 Ų248150.2 Ų150.294%0.93680%0.803SS**  trans-124.7113.2170.9-65.9-171.895.7-157.28112.4
179H38.9Very low39.5Very low160 Ų160155.3 Ų155.374%0.74182%0.815SS**  trans-48.3136.7166.7-31.7-84.8000113.3
180L41.4Very low39.6Very low172 Ų172154.4 Ų154.490%0.90182%0.816SS**  trans-148.693.2157.9-129.277.5000112.6
181K39.3Very low39.9Very low192 Ų192153.1 Ų153.184%0.83581%0.805SS**  trans7.6130.9144.6-64.9169.6160.1179.80120.4
182R41.8Very low40.7Very low247 Ų247148.8 Ų148.893%0.93279%0.793SS**  trans-152.2103.2134-58.2-171.7-179.3170.5-0.1106.8
183S41.3Very low40.9Very low117 Ų117153.3 Ų153.382%0.81880%0.795SS**  72.8132.777-68.40000116.2
184A39.1Very low41.2Very low112 Ų112156 Ų15693%0.92680%0.798SS**  trans94.6123.3171.500000115.7
185G33.2Very low42.1Very low75 Ų75157.5 Ų157.577%0.77380%0.801SS**  cis176.2132.8-0.100000110
186E39.3Very low42.5Very low184 Ų184158.9 Ų158.986%0.8680%0.801SS**  trans51.5108.3141.9-150.4138.982.800122
187Q44Very low42.5Very low201 Ų201159.1 Ų159.194%0.93980%0.802SS**  trans-150.1143.3131.6-158.3162.162.600110.4
188T37.9Very low42.3Very low99 Ų99159.7 Ų159.761%0.60781%0.813SS**  trans-113.9167.5-144.7-39.40000113.2
189Q42.7Very low42.6Very low174 Ų174152.4 Ų152.481%0.81381%0.806SS**  trans86.5138.4151.9-44.7-162.12.500115.4
190D36.4Very low42.9Very low149 Ų149150.9 Ų150.980%0.79781%0.811SS**  cis-164.1171.11.9-167.2-106.9000107.7
191A43.7Very low42.8Very low77 Ų77146.1 Ų146.164%0.63680%0.802SS**  trans-96-147.6-156.600000113.9
192P55.4Low43.2Very low101 Ų101142.6 Ų142.666%0.65680%0.8SS**  -135.2-175.6-61.128.9-8.6000115.4
193K40.3Very low43.2Very low190 Ų190138.5 Ų138.583%0.82680%0.795SS**  trans108.1101.8152.1-60.9167.7179.3174.90115.6
194R46Very low43.5Very low242 Ų242141.3 Ų141.391%0.91380%0.795SS**  65159.672.6-140.8-154.8-172.2-1594113.9
195P57.9Low44Very low102 Ų102142.3 Ų142.366%0.66279%0.79SS**  cis-117.2-177.8-48.724-3.2000111.8
196R44.6Very low44.9Very low237 Ų237146.1 Ų146.189%0.89479%0.787SS**  160.6117.5114.8-171.3169.9-178.1-172.10.3113
197E46.7Very low45.1Very low183 Ų183143.3 Ų143.386%0.85579%0.785SS**  trans-63.3136.5164-168.3-164.2127.200111.5
198A40.7Very low45.1Very low91 Ų91139.3 Ų139.375%0.75278%0.78SS**  trans-175.3108.215000000110.9
199A44.1Very low45.2Very low96 Ų96138 Ų13879%0.79379%0.785SS**  trans-76.2158.8150.800000108.4
200P44.3Very low45.3Very low128 Ų128139 Ų13983%0.83179%0.79SS**  -140.7168.355.330.4-6.9000115.5
201G39.2Very low46Very low71 Ų71143.4 Ų143.473%0.73280%0.795SS**  trans-72.8-160.5173.600000113.7
202P47.6Very low46Very low119 Ų119148 Ų14877%0.77380%0.803SS**  cis-127.4173.62.339.4-22.4000113.5
203L43.5Very low45.4Very low160 Ų160146.4 Ų146.484%0.83880%0.799SS**  trans167.689.5152.3-91.3171.8000105.4
204E46Very low46.1Very low176 Ų176146.7 Ų146.782%0.82280%0.803SS**  60.382.387.1-57.1-101.2112.300111.5
205V51.4Low46Very low134 Ų134139.5 Ų139.581%0.81280%0.796SS**  trans-148.9107.4145.957.30000108.8
206E50.1Low45.6Very low154 Ų154140.2 Ų140.272%0.7280%0.802SS**  trans-22.6124.4165.7-51.6-76.499.300115.7
207P43.8Very low45.8Very low125 Ų125134.5 Ų134.581%0.81280%0.795SS**  trans-94.495.8144.831.5-25.4000108.6G209P207-G209 PolarHBondContact O-N 2.74Å; P207-G209 VanDerWaalsContact O-N 3.08Å
208S45.1Very low46.1Very low118 Ų118132.9 Ų132.983%0.82579%0.791SS**  trans-57.6111.9160.9-64.80000108.8
209G40Very low46.8Very low70 Ų70136.4 Ų136.472%0.72280%0.795SS**  trans172.931.7178.500000113.5P207 R211P207-G209 PolarHBondContact O-N 2.74Å; P207-G209 VanDerWaalsContact O-N 3.08Å; G209-R211 PolarHBondContact O-N 3.29Å
210E43.6Very low47.3Very low196 Ų196139.2 Ų139.292%0.91679%0.792SS**  trans-62.9115.1161.7-73.4172.889.500108.6
211R53Low48.1Very low242 Ų242141 Ų14191%0.91379%0.789SS**  -145.698.3129.860.6-178.3-177.5-156.60109.5G209G209-R211 PolarHBondContact O-N 3.29Å
212E42.5Very low48.6Very low172 Ų172142.9 Ų142.980%0.80479%0.789SS**  trans-48.2156.8152.5-154.7179.499.300111.6
213A43.9Very low48.6Very low68 Ų68142.6 Ų142.656%0.56278%0.781SS**SBendtrans51.412014800000119.5A215A213-A215 PolarHBondContact O-N 3.16Å
214E53.3Low48.5Very low196 Ų196143.5 Ų143.592%0.91678%0.781SS**  33.590.8119.3-59.6-160.6105.900116.4
215A44.6Very low48.5Very low91 Ų91139.7 Ų139.775%0.75277%0.771SS**  trans-151.477.9149.700000107.4A213 P217A213-A215 PolarHBondContact O-N 3.16Å; A215-P217 WeakPolarHBondContact O-CD 3.18Å
216C50.4Low48.3Very low117 Ų117141.4 Ų141.479%0.79177%0.77SS**  trans-57.1122.7157.9-65.90000107I218C216-I218 PolarHBondContact O-N 3.43Å
217P47.3Very low48.4Very low117 Ų117140.3 Ų140.376%0.7677%0.765SS**  trans-62.6114.7165.924.6-29.6000107.7A215 I219A215-P217 WeakPolarHBondContact O-CD 3.18Å; P217-I219 PolarHBondContact O-N 3.1Å
218I54.3Low48.2Very low149 Ų149143.5 Ų143.576%0.76477%0.769SS**  trans-42.1105.6161.7-71.8153.4000108.1C216 E220C216-I218 PolarHBondContact O-N 3.43Å; I218-E220 HydrophobicContact CG2-CB 4.43Å
219I53.8Low48.7Very low165 Ų165147.1 Ų147.185%0.84677%0.765SS**  trans-93102.8150.6-70.5168.2000103.7P217 E221P217-I219 PolarHBondContact O-N 3.1Å; I219-E221 PolarHBondContact O-N 3.46Å
220E54.9Low49.1Very low155 Ų155149.5 Ų149.572%0.72477%0.767SS**  trans-46.6115.5178.6-162.3155.480.500110.4I218 P222I218-E220 HydrophobicContact CG2-CB 4.43Å; E220-P222 WeakPolarHBondContact O-CD 3.34Å
221E61.3Low49.2Very low165 Ų165145 Ų14577%0.77176%0.755SS**  trans-64.2126.6148.1-174.7-165.810900107.3I219I219-E221 PolarHBondContact O-N 3.46Å
222P50.3Low49.1Very low111 Ų111142 Ų14272%0.72176%0.756SS**  trans-109.510014530.3-29.6000110.1E220E220-P222 WeakPolarHBondContact O-CD 3.34Å
223D47.5Very low49.5Very low113 Ų113142.1 Ų142.160%0.60476%0.757SS**  17.9113123.8-162.8-111000115.4
224Q42.4Very low50Low180 Ų180147.6 Ų147.684%0.84177%0.771SS**  trans-67.5141153.3-75.1-146.453.200109
225P46.1Very low49.5Very low95 Ų95146.4 Ų146.462%0.61777%0.765SS**  -147.4135.2121.931-11.4000116.3
226Q46.1Very low49.8Very low170 Ų170146 Ų14679%0.79476%0.762SS**  trans79.1119139.3-35-130.5-54.200120.7
227E53.4Low49.6Very low131 Ų131145.6 Ų145.661%0.61276%0.756SS**  44.1102.9120.3-161.2165134.600117.4R229E227-R229 IonicContact OE1-CZ 3.88Å; E227-R229 IonicContact OE1-NE 3.64Å; E227-R229 IonicContact OE1-NH2 2.81Å; E227-R229 PolarHBondContact OE1-NH2 3.45Å
228Q39.1Very low49.7Very low193 Ų193146.7 Ų146.790%0.90276%0.755SS**  trans-156.4102.1139.6-108.415585.500111.7
229R54.8Low49.6Very low194 Ų194148.3 Ų148.373%0.73276%0.76SS**  trans-21.1133.6151.1-42.7172.1-167.5-170.90.7112E227E227-R229 IonicContact OE1-CZ 3.88Å; E227-R229 IonicContact OE1-NE 3.64Å; E227-R229 IonicContact OE1-NH2 2.81Å; E227-R229 PolarHBondContact OE1-NH2 3.45Å
230P49.3Very low49.1Very low119 Ų119149.8 Ų149.877%0.77376%0.763SS**  trans-64.5138.4161.127.3-30.6000109L232P230-L232 PolarHBondContact O-N 3.03Å
231P45Very low49.1Very low102 Ų102146.5 Ų146.566%0.66276%0.762SS**  trans-67.7131.3-178.228-32.3000110E233P231-E233 VanDerWaalsContact C-N 3.28Å; P231-E233 HydrophobicContact CB-CG 4.27Å; P231-E233 PolarHBondContact O-N 2.84Å; P231-E233 VanDerWaalsContact O-N 3.1Å
232L51.8Low48.6Very low178 Ų178143.8 Ų143.893%0.93276%0.759SS**  trans-6596.4151-71.6166.3000106.3P230 E234P230-L232 PolarHBondContact O-N 3.03Å; L232-E234 PolarHBondContact O-N 3.24Å
233E49.2Very low48.6Very low176 Ų176146.7 Ų146.782%0.82277%0.768SS**  trans-88.398.2158-69.6-165.7119.400107.5P231 E235P231-E233 VanDerWaalsContact C-N 3.28Å; P231-E233 HydrophobicContact CB-CG 4.27Å; P231-E233 PolarHBondContact O-N 2.84Å; P231-E233 VanDerWaalsContact O-N 3.1Å; E233-E235 PolarHBondContact O-N 3.03Å
234E54.7Low49Very low182 Ų182149.2 Ų149.285%0.8578%0.779SS**  trans-61.7112149.3-165.3-169.9142.600107.3L232L232-E234 PolarHBondContact O-N 3.24Å
235E43.2Very low49.6Very low171 Ų171144 Ų14480%0.79978%0.775SS**  trans-129.8103.9148.7-118.5-148.4110.400109E233E233-E235 PolarHBondContact O-N 3.03Å
236A52.1Low49.9Very low82 Ų82142.9 Ų142.968%0.67878%0.78SS**  trans-66.8132.6150.900000108.6
237T46.1Very low50.3Low110 Ų110143.3 Ų143.368%0.67578%0.782SS**  trans-154.9128.6146.7-80.90000109.1
238D49.1Very low50.9Low139 Ų139145 Ų14574%0.74379%0.794SS**  trans45.2116.2157-84.5-155.5000119.4
239Q51Low51.9Low183 Ų183144.5 Ų144.586%0.85579%0.791SS**  54.371.854.5-140.8-167.3124.300114.1
240E43.9Very low52.5Low197 Ų197138.5 Ų138.592%0.92179%0.79SS**  trans-156.7149.1135.6-127-165.4114.400112.3
241A54.2Low52.6Low85 Ų85145 Ų14570%0.70282%0.816SS**  trans-75.6-172.1-166.500000112.4
242P51.2Low53Low109 Ų109147.1 Ų147.171%0.70882%0.824SS**  cis-129.715220.134.7-14.1000116.4I244P242-I244 PolarHBondContact O-N 3.39Å; P242-I244 VanDerWaalsContact O-N 3.1Å
243L49.9Very low53Low172 Ų172145.5 Ų145.590%0.90182%0.818SS**  trans-54.7109157.7-62.3169.2000108.4G245L243-G245 PolarHBondContact O-N 3.24Å; L243-G245 VanDerWaalsContact O-N 3.09Å
244I56.4Low53.2Low165 Ų165143.8 Ų143.885%0.84682%0.818SS**  trans-70.7105.7164.8-62.4173.2000105.7P242P242-I244 PolarHBondContact O-N 3.39Å; P242-I244 VanDerWaalsContact O-N 3.1Å
245G54.8Low53.1Low72 Ų72141.5 Ų141.574%0.74282%0.816SS**  trans-54.5139169.400000110.8L243L243-G245 PolarHBondContact O-N 3.24Å; L243-G245 VanDerWaalsContact O-N 3.09Å
246G52Low53.8Low71 Ų71139.7 Ų139.773%0.73282%0.817SS**  trans-151.356174.800000109.2I248G246-I248 PolarHBondContact O-N 3.08Å
247E56Low53.9Low178 Ų178143.5 Ų143.583%0.83283%0.827SS**  trans-54.2115.8149.9-77.7172.877.300107.5
248I64.1Low54.4Low167 Ų167145.9 Ų145.986%0.85684%0.837SS**  trans-129.483.4146.652.8160.2000107.7G246G246-I248 PolarHBondContact O-N 3.08Å
249E60.5Low54.8Low183 Ų183146.5 Ų146.586%0.85585%0.845SS**  trans-60.2142.9144.2-83.6-171.19700109.2
250G67.2Low55.2Low68 Ų68143.4 Ų143.470%0.70184%0.844SS**  trans127.692.9155.500000114.8
251L51.6Low56.2Low254 Ų254138.5 Ų138.5100%1.3384%0.837SS**  167.1096.3-90.8157.9000111.4

Retrieved 251 of 251 residues in 48.9 ms (Link to these results)

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